SCHEMBL7948958

SCHEMBL7948958

COc1cccc2c(CC(=O)O)c(C(OC)OC)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAOA P21397 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
ABCB1 P08183 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7960073 0.82 MAOA (0.40) MEN1KMT2AMAOAKDM4ENPC1
SCHEMBL7956762 0.81 MEN1 (0.46) MEN1KMT2AMAOAKDM4ENPC1
SCHEMBL7948955 0.77 MEN1 (0.41) MEN1KMT2AMAOAKDM4ENPC1
SCHEMBL7960426 0.76 MAOA (0.38) MEN1KMT2AMAOAKDM4ENPC1
SCHEMBL7948739 0.75 KDM4E (0.41) MEN1KMT2AMAOAKDM4ENPC1
SCHEMBL11316320 0.74 MAOA (0.50) MEN1KMT2AMAOAKDM4ENPC1
SCHEMBL7955903 0.74 TBXA2R (0.52) MAOAKDM4ENPC1RAB9AALDH1A1
SCHEMBL8683168 0.72 CA12 (0.55) KDM4EALDH1A1LMNAABCB1CA12
SCHEMBL7948483 0.69 PSMB8 (0.56) MEN1KMT2AALDH1A1LMNACA12
Hydrochloric Acid SCHEMBL10671160 0.68 PSMB8 (0.55) MEN1KMT2AALDH1A1LMNACA12

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