SCHEMBL165767

SCHEMBL165767

O=C(O)/C=C(\Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.63
CYP3A4 P08684 1/20 0.63
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
CTBP2 P56545 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 3/20 0.45
KDM4E B2RXH2 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.42
PAM P19021 2/20 0.41
ABCC4 O15439 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL162763 1.00 CYP2C9 (0.63) CYP2C9CYP3A4CES1CES2AKR1B1
SCHEMBL162762 1.00 CYP2C9 (0.63) CYP2C9CYP3A4CES1CES2AKR1B1
SCHEMBL30772424 0.88 CYP2C9 (0.55) CYP2C9CYP3A4CES1CES2AKR1B1
Di(Hydroxyethyl)Ether SCHEMBL10732320 0.87 CYP3A4 (0.50) CYP2C9CYP3A4CES1CES2AKR1B1
SCHEMBL9363950 0.84 CYP3A4 (0.59) CYP2C9CYP3A4CES1CES2AKR1B1
SCHEMBL9363945 0.84 CYP3A4 (0.59) CYP2C9CYP3A4CES1CES2AKR1B1
SCHEMBL27637055 0.84 CYP3A4 (0.50) CYP2C9CYP3A4CES1CES2AKR1B1
SCHEMBL1585419 0.83 CYP3A4 (0.46) CYP2C9CYP3A4CES1CES2AKR1B1
SCHEMBL6222325 0.83 CYP3A4 (0.46) CYP2C9CYP3A4CES1CES2AKR1B1
SCHEMBL30745648 0.82 CYP3A4 (0.58) CYP2C9CYP3A4CES1CES2AKR1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145921-B1 Vulcanizable polymer compositions ARLANXEO DEUTSCHLAND GMBH (DE) 2017-01-25 EP claimed
EP-2199326-B1 Vulcanizable polymer compositions LANXESS DEUTSCHLAND GMBH (DE) 2014-10-29 EP claimed
EP-3728355-B1 NITRILE DIENE CARBOXYLIC ACID ESTER COPOLYMERS ARLANXEO DEUTSCHLAND GMBH (DE) 2022-04-20 EP disclosed
EP-3668922-B1 VULCANISABLE COMPOSITIONS CONTAINING HYDROGENATED NITRILE RUBBER, VULCANIZATES PREPARED FROM SAME AND THEIR USE ARLANXEO DEUTSCHLAND GMBH (DE) 2022-03-16 EP disclosed
US-11248077-B2 Polymerizable composition for optical material and molded product MITSUI CHEMICALS, INC. (JP) 2022-02-15 US disclosed
EP-3720885-B1 METHOD FOR PRODUCING NITRILE RUBBERS WITH RUTHENIUM COMPLEX CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2021-12-01 EP disclosed
EP-3684604-B1 VULCANIZABLE HNBR COMPOSITION WITH HIGH THERMAL CONDUCTIVITY ARLANXEO DEUTSCHLAND GMBH (DE) 2021-11-24 EP disclosed
US-20210054126-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL AND MOLDED PRODUCT MITSUI CHEMICALS, INC. (JP) 2021-02-25 US disclosed
EP-3728355-A1 NITRILE-DIENE-CARBOXYLIC ACID ESTER COPOLYMERS ARLANXEO Deutschland GmbH (DE) 2020-10-28 EP disclosed
EP-3728452-A1 VULCANIZED HNBR PRODUCT WITH IMPROVED HOT AIR RESISTANCE ARLANXEO Deutschland GmbH (DE) 2020-10-28 EP disclosed
EP-3720885-A1 PROCESS FOR PRODUCING NITRILE RUBBERS USING RUTHENIUM COMPLEX CATALYSTS ARLANXEO Deutschland GmbH (DE) 2020-10-14 EP disclosed
EP-2267037-A1 Use of wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2010-12-29 EP disclosed
CN-101458341-B Combination for stopping uv optical lens and capable of preventing aetiolation in heat treatment process and optical lens using same SHIN DAE SPECIALTIES CO LTD 2010-12-15 CN disclosed
CN-101458341-A Combination for stopping uv optical lens and capable of preventing aetiolation in heat treatment process and optical lens using same SHIN DAE SPECIALTIES CO LTD (KR) 2009-06-17 CN disclosed
US-6551814-B1 Functional, cell-free pyruvate formate lyase obtained from a toluene-degrading bacterium and a functional, cell-free pyruvate formate lyase activating enzyme of a toluene-degrading bacterium OHIO UNIVERSITY 2003-04-22 US disclosed
US-6541656-B2 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY, LTD. (JP) 2003-04-01 US disclosed
US-6395539-B1 A DNA CAPABLE OF EXPRESSING A TOLUENE DEGRADING ENZYME; FOR THE DEGRADATION OF COMPOUNDS CONTAINED IN A LIQUID OR SOLID WASTE STREAM OHIO UNIVERSITY 2002-05-28 US disclosed
US-20010034300-A1 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY LTD. (JP) 2001-10-25 US disclosed
WO-2000072650-A2 COMPOSITIONS AND METHODS FOR BIOREMEDIATION OHIO UNIVERSITY (US) 2000-12-07 WO disclosed
WO-1998050587-A1 COMPOSITIONS AND METHODS FOR BIOREMEDIATION OHIO UNIVERSITY (US) 1998-11-12 WO disclosed