SCHEMBL7960424

SCHEMBL7960424

COCOCc1oc2c(OC)cccc2c1CCOS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TBXA2R P21731 6/20 0.35
PTGIR P43119 5/20 0.35
HPGD P15428 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PRKDC P78527 2/20 0.31
MKNK1 Q9BUB5 1/20 0.31

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 0.82 TBXA2R (0.40) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL7960426 0.79 MAOA (0.38) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL7948955 0.77 MEN1 (0.41) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL7955902 0.74 TBXA2R (0.56) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL506131 0.70 CA12 (0.40) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL3593144 0.66 CA12 (0.54) KDM4ECA12CA1CA2CA9
SCHEMBL9510381 0.65 CA12 (0.57) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL10735162 0.64 ALDH1A1 (0.41) ALDH1A1KDM4ELMNACYP3A4CA1
SCHEMBL11471639 0.63 SMN1; SMN2 (0.61) ALDH1A1LMNANPC1RAB9AHPGD
Alcohol SCHEMBL11040577 0.63 CA12 (0.50) KDM4ELMNACA12CA1CA2

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