SCHEMBL7960069

SCHEMBL7960069

COCOCc1oc2c(OC)cccc2c1CCO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.40
PTGIR P43119 7/20 0.40
MAOA P21397 8/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL7948955 0.83 MEN1 (0.41) TBXA2RPTGIRMAOAALDH1A1KDM4E
SCHEMBL7960424 0.82 MAOA (0.36) TBXA2RPTGIRMAOAALDH1A1KDM4E
SCHEMBL7955902 0.79 TBXA2R (0.56) TBXA2RPTGIRMAOAALDH1A1KDM4E
SCHEMBL7958785 0.79 TBXA2R (0.41) TBXA2RPTGIRMAOAALDH1A1KDM4E
SCHEMBL7959173 0.77 MAOA (0.43) TBXA2RPTGIRMAOAALDH1A1KDM4E
SCHEMBL7960073 0.75 MAOA (0.40) TBXA2RPTGIRMAOAALDH1A1KDM4E
SCHEMBL11621418 0.71 NPC1 (0.44) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL5782701 0.67 TP53 (0.46) ALDH1A1KDM4ELMNAHPGDCYP3A4
SCHEMBL7963091 0.66 TBXA2R (0.74) TBXA2RPTGIRMAOAALDH1A1KDM4E
SCHEMBL10127076 0.66 MAOA (0.59) MAOAALDH1A1KDM4ELMNANPC1

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