SCHEMBL7711965

SCHEMBL7711965

C=Cc1ccc(OC(C)=O)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CFD P00746 2/20 0.38
SRD5A1 P18405 1/20 0.37
NR3C1 P04150 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 2/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
HPGD P15428 1/20 0.36
GGT1 P19440 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL13986529 0.87 ELANE (0.36) PTGS1ALDH1A1
SCHEMBL8673237 0.77 ACHE (0.44) PTGS1TSHRKDM4EALDH1A1GAA
SCHEMBL9426682 0.77 MAPK1 (0.45) PTGS1TSHRKDM4EALDH1A1GAA
SCHEMBL9148761 0.76 CFD (0.41) PTGS1TSHRKDM4EALDH1A1GAA
SCHEMBL24817230 0.76 TUBB1 (0.38) PTGS1KDM4EALDH1A1GAA
SCHEMBL156400 0.76 CYP4F2 (0.51) PTGS1TSHRKDM4EALDH1A1GAA
SCHEMBL31621880 0.76 CYP4F2 (0.51) PTGS1TSHRKDM4EALDH1A1GAA
SCHEMBL1088271 0.75 HTT (0.47) PTGS1TSHRKDM4EALDH1A1RAB9A
SCHEMBL27687896 0.75 PTGS1 (0.47) PTGS1TSHRALDH1A1GAARAB9A
SCHEMBL28078759 0.75 MAPK1 (0.42) PTGS1TSHRKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369279-B1 STYRENE WITH ETHER OR FLUORINE GROUPS FOR POLYMERS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-04-09 US disclosed