SCHEMBL7956320

SCHEMBL7956320

COc1cccc2cc(COC(c3ccccc3)c3ccccc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 8/20 0.46
MEN1 O00255 6/20 0.46
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
POLB P06746 2/20 0.45
HTT P42858 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44

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
SCHEMBL7958775 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7959182 0.82 ADORA3 (0.41) ADORA2ACA12CA1CA2CA9
SCHEMBL7958975 0.82 KDM4E (0.46) SMN1; SMN2KDM4EADORA2APOLBALDH1A1
SCHEMBL7962809 0.81 ADORA2A (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6606644 0.80 LMNA (0.53) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL5722855 0.76 KMT2A (0.55) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL348215 0.75 LMNA (0.54) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL5723536 0.75 LMNA (0.50) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL72493 0.74 LMNA (0.53) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL73352 0.74 LMNA (0.56) NPC1RAB9ASMN1; SMN2MAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed