SCHEMBL8976847

SCHEMBL8976847

C=CC(O)/C=C/c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
NFE2L2 Q16236 7/20 0.43
PTGS1 P23219 2/20 0.42
TNFRSF1A P19438 1/20 0.40
TRPA1 O75762 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
APP P05067 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FBP1 P09467 1/20 0.37

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
SCHEMBL8976851 1.00 HSD11B1 (0.44) HSD11B1NFE2L2PTGS1TNFRSF1ATRPA1
SCHEMBL526122 0.79 ALDH1A1 (0.48) TRPA1CYP3A4CYP2C9
SCHEMBL13759882 0.79 ALDH1A1 (0.48) TRPA1CYP3A4CYP2C9
SCHEMBL12143704 0.70
SCHEMBL49710 0.70
SCHEMBL105258 0.70 NFE2L2 (0.54) HSD11B1NFE2L2PTGS1TRPA1ALOX5
SCHEMBL2869906 0.70 NFE2L2 (0.54) HSD11B1NFE2L2PTGS1TRPA1ALOX5
SCHEMBL700051 0.69 NFE2L2 (0.78) HSD11B1NFE2L2PTGS1TNFRSF1AALOX5
SCHEMBL22468800 0.69 NFE2L2 (0.78) HSD11B1NFE2L2PTGS1TNFRSF1AALOX5
SCHEMBL13766470 0.69 NFE2L2 (0.78) HSD11B1NFE2L2PTGS1TNFRSF1AALOX5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508412-A USED IN FORMATION OF UNSATURATED CYCLOHEXENONE OXIME ETHERS; HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5407896-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed
US-5403812-A Also containing a sulfur-containing ring; control of grasses but selective of broad-leaved and monocotyledonous crops BASF AKTIENGESELLSCHAFT (DE) 1995-04-04 US disclosed
EP-0481354-B1 Unsaturated cyclohexenonoximethers BASF AG (DE) 1994-08-03 EP disclosed
EP-0481354-A1 Unsaturated cyclohexenonoximethers BASF Aktiengesellschaft (DE) 1992-04-22 EP disclosed