SCHEMBL7948955

SCHEMBL7948955

COCOCc1oc2c(OC)cccc2c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAOA P21397 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
ABCB1 P08183 1/20 0.38
TBXA2R P21731 7/20 0.37
PTGIR P43119 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL7960069 0.83 TBXA2R (0.40) MEN1KMT2AMAOANPC1RAB9A
SCHEMBL7948739 0.80 KDM4E (0.41) MEN1KMT2AMAOANPC1RAB9A
SCHEMBL7956762 0.78 MEN1 (0.46) MEN1KMT2AMAOANPC1RAB9A
SCHEMBL7960424 0.77 MAOA (0.36) MEN1KMT2AMAOANPC1RAB9A
SCHEMBL7948958 0.77 MEN1 (0.43) MEN1KMT2AMAOANPC1RAB9A
SCHEMBL7955902 0.75 TBXA2R (0.56) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL11316320 0.72 MAOA (0.50) MEN1KMT2AMAOANPC1RAB9A
SCHEMBL8683168 0.69 CA12 (0.55) KDM4EALDH1A1LMNAABCB1SMN1; SMN2
SCHEMBL7948483 0.66 PSMB8 (0.56) MEN1KMT2AALDH1A1LMNATBXA2R
SCHEMBL6242920 0.66 EDNRA (0.50) MEN1KMT2AMAOANPC1RAB9A

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