SCHEMBL15097808

SCHEMBL15097808

CCCCCCCCCCCCc1c(C(F)(F)F)cc(SOC)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.37
AR P10275 2/20 0.36
S1PR1 P21453 1/20 0.33
HSD11B1 P28845 1/20 0.32
PDIA4 P13667 1/20 0.32
PDIA3 P30101 1/20 0.32
PDIA6 Q15084 1/20 0.32
CYP19A1 P11511 1/20 0.32
PTGS2 P35354 5/20 0.31
GLS2 Q9UI32 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL15097488 0.81 S1PR1 (0.43) ALOX5ARS1PR1PTGS2
SCHEMBL15097486 0.80 ALOX5 (0.43) ALOX5CYP19A1PTGS2
SCHEMBL15097515 0.76 ALOX5 (0.40) ALOX5CYP19A1PTGS2
SCHEMBL15097496 0.73 AR (0.40) ALOX5AR
SCHEMBL15097806 0.73 ALOX5 (0.37) ALOX5CYP19A1
SCHEMBL15097502 0.71 ESR1 (0.39) ALOX5PTGS2
SCHEMBL15097613 0.68 AR (0.36) AR
SCHEMBL15097494 0.67 ESR1 (0.53) PTGS2
SCHEMBL15097498 0.67 ALOX5 (0.44) ALOX5S1PR1PTGS2
SCHEMBL22864098 0.64 HSD11B1 (0.41) HSD11B1

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-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed