SCHEMBL7962816

SCHEMBL7962816

OCCCc1coc2c(O)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.37
TBXA2R P21731 4/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
MAOB P27338 1/20 0.33
BID P55957 4/20 0.33
MCL1 Q07820 4/20 0.33
BCL2L1 Q07817 3/20 0.33
BAK1 Q16611 3/20 0.33
KAT8 Q9H7Z6 2/20 0.33
MAOA P21397 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
EP300 Q09472 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
SCHEMBL7737674 0.90 MAPT (0.35) PTGIRTBXA2RLOXL2KDM4ELMNA
SCHEMBL24721674 0.82 PSMB5 (0.42) PTGIRTBXA2RPOLBKDM4EMAOB
SCHEMBL7959954 0.78 MEN1 (0.48) PTGIRTBXA2RLMNAPPARA
SCHEMBL5239989 0.74 MAOB (0.56) POLBMAOB
SCHEMBL7949002 0.73 SMN1; SMN2 (0.56) PTGIRTBXA2RPOLBKDM4EMAPT
SCHEMBL7958811 0.73 MEN1 (0.41) PTGIRTBXA2RKDM4ELMNATP53
SCHEMBL7959190 0.73 PTGIR (0.67) PTGIRTBXA2RPOLBKDM4E
SCHEMBL7960429 0.72 DAO (0.40) PTGIRTBXA2RPOLBKDM4ELMNA
SCHEMBL11648609 0.69 POLB (0.43) POLBKDM4EMAPTTSHRMCL1
SCHEMBL5763492 0.69 MAOB (0.54) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1092639-C Benzene-fused heterocyclic derivative and use thereof TORAY INDUSTRIES (JP) 2002-10-16 CN disclosed
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
CN-1148381-A Benzene-fused heterocyclic derivative and use thereof TORAY INDUSTRIES (JP) 1997-04-23 CN disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed