SCHEMBL165294

SCHEMBL165294

O=C(O)/C=C(/C(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 0.59
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
KMT2A Q03164 4/20 0.48
NFE2L2 Q16236 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
AKR1C2 P52895 3/20 0.46
AKR1C3 P42330 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.44
PTGS2 P35354 1/20 0.44
AKT1 P31749 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL164580 1.00 AKR1C1 (0.59) AKR1C1CA12CA1CA2CA9
SCHEMBL164579 1.00 AKR1C1 (0.59) AKR1C1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL3674640 0.98 AKR1C1 (0.57) AKR1C1CA12CA1CA2CA9
SCHEMBL28474399 0.92 ALDH1A1 (0.56) AKR1C1CA12CA1CA2CA9
SCHEMBL31501167 0.87 POLB (0.56) AKR1C1KMT2APTGS2POLBMAPT
SCHEMBL27489619 0.84 NFE2L2 (0.61) AKR1C1CA12CA1CA2CA9
SCHEMBL4730610 0.84 NFE2L2 (0.61) AKR1C1CA12CA1CA2CA9
SCHEMBL112003 0.84 CES2 (0.56) AKR1C1CA12CA1CA2CA9
SCHEMBL4793306 0.84 CA12 (0.65) AKR1C1CA12CA1CA2CA9
SCHEMBL5694642 0.84 CES2 (0.45) AKR1C1CA12CA1CA2CA9

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 133 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
WO-2011085445-A1 FLOTATION REAGENTS TEEBEE HOLDINGS PTY LTD (AU) 2011-07-21 WO 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
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-20210277190-A1 OSCILLATORY GELS UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2021-09-09 US disclosed
EP-3814402-A1 OSCILLATORY GELS University of Newcastle Upon Tyne (GB) 2021-05-05 EP 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-2316861-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
WO-2011032832-A1 NITRILE RUBBERS AND PRODUCTION THEREOF IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2011-03-24 WO disclosed
EP-2298824-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-03-23 EP disclosed
EP-2289987-A1 Vulcanizable blend and its use for reparing rubberbased molded articles LANXESS Deutschland GmbH (DE) 2011-03-02 EP disclosed
EP-2267037-A1 Use of wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2010-12-29 EP disclosed
EP-1858994-A1 CURABLE ACRYLATE COMPOSITIONS, METHODS OF MAKING THE COMPOSITIONS AND ARTICLES MADE THEREFROM General Electric Company (US) 2007-11-28 EP disclosed
US-7294657-B2 Curable acrylate compositions, methods of making the compositions and articles made therefrom GENERAL ELECTRIC COMPANY (US) 2007-11-13 US disclosed
WO-2006096643-A1 CURABLE ACRYLATE COMPOSITIONS, METHODS OF MAKING THE COMPOSITIONS AND ARTICLES MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2006-09-14 WO disclosed
US-20060199095-A1 Curable acrylate compositions, methods of making the compositions and articles made therefrom GENERAL ELECTRIC COMPANY 2006-09-07 US disclosed