SCHEMBL15539178

SCHEMBL15539178

O=CC1=C(c2ccc(Cl)cc2)CCC2(C1)CC2(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.35
PTGS1 P23219 4/20 0.35
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1701049 0.84 PTGS2 (0.37) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL15539299 0.79 PTGS2 (0.44) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL1497714 0.78 PTGS2 (0.44) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL1701070 0.77 PTGS2 (0.35) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL1812781 0.77 PTGS2 (0.39) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL15540176 0.75
SCHEMBL1956774 0.74 PTGS2 (0.38) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL25249186 0.74 PTGS2 (0.40) PTGS2PTGS1HSD17B10KDM4EALDH1A1
SCHEMBL1701087 0.73 PTGS2 (0.38) PTGS2PTGS1HSD17B10
SCHEMBL1700854 0.70 SLC6A3 (0.37) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013185202-A1 APOPTOSIS INDUCERS BETA PHARMA CANADA INC (CA) 2013-12-19 WO disclosed
WO-2013185202-A1 APOPTOSIS INDUCERS BETA PHARMA CANADA INC (CA) 2013-12-19 WO disclosed