SCHEMBL9736762

SCHEMBL9736762

COCC1(C)Oc2ccc(C(=O)OC)cc2C2OC21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
TRPA1 O75762 1/20 0.36
IDO1 P14902 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
XDH P47989 1/20 0.35
CA14 Q9ULX7 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MEN1 O00255 3/20 0.34

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
SCHEMBL9735438 0.88 HTR1A (0.40) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL22997428 0.84 RAB9A (0.42) ALOX5NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29446213 0.84 RAB9A (0.42) ALOX5NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL26759036 0.84 RAB9A (0.42) ALOX5NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29446212 0.84 RAB9A (0.42) ALOX5NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29653912 0.84 RAB9A (0.42) ALOX5NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29446214 0.84 RAB9A (0.42) ALOX5NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29446222 0.84 RAB9A (0.42) ALOX5NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29653996 0.84 RAB9A (0.42) ALOX5NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL11394655 0.84 ALOX5 (0.45) ALOX5NPC1RAB9ASMN1; SMN2CASP3

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