SCHEMBL9735230

SCHEMBL9735230

COCC1(C)Oc2ccc(C(=O)OC)cc2C2OC21C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
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
CNR2 P34972 2/20 0.34
MAPK1 P28482 1/20 0.34
HDAC1 Q13547 1/20 0.34
MAPT P10636 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL9443587 0.85 ALOX5 (0.43) ALOX5SMN1; SMN2RAB9ANPC1CA12
SCHEMBL9736053 0.79 HTR2B (0.32) MAPK1IDO1LMNA
SCHEMBL29653996 0.77 RAB9A (0.42) ALOX5SMN1; SMN2RAB9ANPC1CA12
SCHEMBL29446222 0.77 RAB9A (0.42) ALOX5SMN1; SMN2RAB9ANPC1CA12
SCHEMBL29446212 0.77 RAB9A (0.42) ALOX5SMN1; SMN2RAB9ANPC1CA12
SCHEMBL22997428 0.77 RAB9A (0.42) ALOX5SMN1; SMN2RAB9ANPC1CA12
SCHEMBL29653912 0.77 RAB9A (0.42) ALOX5SMN1; SMN2RAB9ANPC1CA12
SCHEMBL29446213 0.77 RAB9A (0.42) ALOX5SMN1; SMN2RAB9ANPC1CA12
SCHEMBL29446214 0.77 RAB9A (0.42) ALOX5SMN1; SMN2RAB9ANPC1CA12
SCHEMBL26759036 0.77 RAB9A (0.42) ALOX5SMN1; SMN2RAB9ANPC1CA12

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