SCHEMBL166472

SCHEMBL166472

O=C(O)C=C(CCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
ALDH1A1 P00352 2/20 0.52
FFAR1 O14842 2/20 0.52
PDPK1 O15530 3/20 0.49
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR52 Q9Y2T5 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL10899478 1.00 KEAP1 (0.55) KEAP1ALDH1A1FFAR1PDPK1HDAC2
SCHEMBL2682990 1.00 KEAP1 (0.55) KEAP1ALDH1A1FFAR1PDPK1HDAC2
SCHEMBL7268064 0.85 KEAP1 (0.52) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL7268052 0.85 KEAP1 (0.52) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL9009723 0.82 ALDH1A1 (0.59) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL8166222 0.82 ALDH1A1 (0.59) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL15991325 0.80 KEAP1 (0.59) KEAP1ALDH1A1FFAR1PDPK1HDAC2
SCHEMBL162762 0.80 CYP2C9 (0.63) ALDH1A1HDAC8HDAC6KMT2AMAPK1
SCHEMBL165767 0.80 CYP2C9 (0.63) ALDH1A1HDAC8HDAC6KMT2AMAPK1
SCHEMBL162763 0.80 CYP2C9 (0.63) ALDH1A1HDAC8HDAC6KMT2AMAPK1

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
EP-2601229-B1 GRAFT COPOLYMERS OF POLYFARNESENES WITH CONDENSATION POLYMERS AMYRIS INC (US) 2013-10-16 EP claimed
JP-7072664-A None JP disclosed
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
EP-3728452-A1 VULCANIZED HNBR PRODUCT WITH IMPROVED HOT AIR RESISTANCE ARLANXEO Deutschland GmbH (DE) 2020-10-28 EP disclosed
EP-3728355-A1 NITRILE-DIENE-CARBOXYLIC ACID ESTER COPOLYMERS 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-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-0617088-B1 Ternary polymer blends and their use INVENTA AG (CH) 1999-07-21 EP disclosed
JP-H0772664-A ELECTROPHOTOGRAPHIC TONER NIPPON KAYAKU CO LTD 1995-03-17 JP disclosed
EP-0617088-A2 Ternary polymer blends and their use EMS-INVENTA AG (CH) 1994-09-28 EP disclosed
EP-0192997-A2 Method for modifying polyfumaric acid diester NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-09-03 EP disclosed