SCHEMBL9734818

SCHEMBL9734818

COCC1(C)Oc2ccc(C(=O)OC)cc2C(n2ccccc2=O)=C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAPT P10636 3/20 0.34
CFTR P13569 1/20 0.34
F10 P00742 2/20 0.33
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP3 P42574 1/20 0.33
PDK2 Q15119 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
FGFR1 P11362 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL8084217 0.87 ALOX5 (0.40) ALOX5RAB9ASMN1; SMN2NPC1CTDSP1
SCHEMBL9737036 0.84 NPSR1 (0.32) MAPTKDM4E
SCHEMBL9735328 0.82 MAOB (0.33)
SCHEMBL9737279 0.82 CHRM2 (0.34) RAB9ANPC1MAPTCASP3POLB
SCHEMBL9738703 0.80 CNR2 (0.38) ALOX5RAB9ASMN1; SMN2NPC1CTDSP1
SCHEMBL9736905 0.80 ALOX5 (0.39) ALOX5RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8090664 0.79 MAPT (0.46) RAB9ASMN1; SMN2CTDSP1MAPTKDM4E
SCHEMBL9732982 0.78 ALOX5 (0.38) ALOX5RAB9ASMN1; SMN2NPC1CTDSP1
SCHEMBL9737143 0.78 ALDH1A1 (0.36) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL7268034 0.76 ALOX5 (0.40) ALOX5RAB9ASMN1; SMN2NPC1MAPT

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed