SCHEMBL9738703

SCHEMBL9738703

COC(=O)c1ccc2c(c1)C(n1ccccc1=O)=C(CO)C(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.38
ALOX5 P09917 1/20 0.38
CNR1 P21554 2/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 3/20 0.35
CFTR P13569 1/20 0.35
CASP3 P42574 1/20 0.34
PDK2 Q15119 1/20 0.34
POLB P06746 2/20 0.34
FGFR1 P11362 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9737735 0.89 S100A4 (0.35) RAB9ASMN1; SMN2NPC1FGFR1ALDH1A1
SCHEMBL8084217 0.87 ALOX5 (0.40) CNR2ALOX5CNR1RAB9ASMN1; SMN2
SCHEMBL9732982 0.84 ALOX5 (0.38) CNR2ALOX5CNR1RAB9ASMN1; SMN2
SCHEMBL9733518 0.82 FTO (0.31) SMN1; SMN2
SCHEMBL9147909 0.82 NR1H4 (0.33) MAPT
SCHEMBL9733560 0.82 ALDH1A1 (0.39) RAB9ASMN1; SMN2NPC1MAPTPDK2
SCHEMBL9734818 0.80 ALOX5 (0.36) CNR2ALOX5CNR1RAB9ASMN1; SMN2
SCHEMBL9734520 0.80
SCHEMBL9732962 0.80 MAPT (0.35) RAB9ASMN1; SMN2NPC1MAPTCASP3
SCHEMBL9369702 0.80 ABCC9 (0.35) CYP1A2CYP2C9CYP2C19

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-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed