SCHEMBL9736903

SCHEMBL9736903

COCC1(C)Cc2ccc(C(=O)OC)cc2C(n2ccccc2=O)O1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRM1 P35372 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
NPY5R Q15761 1/20 0.32
ALOX15 P16050 2/20 0.32
TRPA1 O75762 2/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
NAMPT P43490 1/20 0.32
ALOX5 P09917 1/20 0.32
MDM2 Q00987 1/20 0.32
GRIN2B Q13224 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
SCHEMBL9736662 0.91 DRD3 (0.34) OPRD1KDM4EGAA
SCHEMBL9735583 0.91 OPRM1 (0.36) OPRD1OPRM1
SCHEMBL9736615 0.88
SCHEMBL9736930 0.84 MEN1 (0.32) MAPTGAA
SCHEMBL9197783 0.82 ABCB1 (0.34) POLB
SCHEMBL9735367 0.81 ALOX15 (0.38) OPRD1MAPTKDM4ENPC1RAB9A
SCHEMBL9734831 0.77 ALOX5 (0.37) OPRD1KDM4EOPRM1NPC1RAB9A
SCHEMBL9735900 0.73 OPRD1 (0.34) OPRD1MAPTKDM4ENPC1RAB9A
SCHEMBL9198396 0.72 ABCC9 (0.39)
SCHEMBL9735486 0.72 ALOX5 (0.36) MAPTKDM4EOPRM1NPC1RAB9A

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
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed