SCHEMBL7956254

SCHEMBL7956254

CC(=O)NCc1c(C)oc2c(OC(C)=O)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
PKM P14618 1/20 0.44
SHMT2 P34897 1/20 0.40
ELANE P08246 1/20 0.40
GAA P10253 4/20 0.39
LMNA P02545 3/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
ADORA2A P29274 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
NR1I3 Q14994 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.38
ADORA1 P30542 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL7948850 0.84 TBXA2R (0.46) KDM4EALDH1A1HPGDTHRBSMN1; SMN2
SCHEMBL7956160 0.82 ADORA2A (0.42) MAPTPKMSHMT2GAALMNA
SCHEMBL7962456 0.79 MAPT (0.41) MAPTPKMSHMT2GAALMNA
SCHEMBL7956638 0.76 TSHR (0.44) ELANELMNAKDM4EALDH1A1HPGD
SCHEMBL18778473 0.72 PPARG (0.44) KDM4EALDH1A1HPGDHSD17B10MTNR1A
SCHEMBL7831629 0.72 GHSR (0.42) MAPTLMNAALDH1A1RAB9ATP53
SCHEMBL7956154 0.69 TBXA2R (0.39) MAPTPKMGAAADORA2AADORA3
SCHEMBL7956039 0.69 TBXA2R (0.45) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL7959229 0.69 ALDH1A1 (0.46) MAPTGAALMNAKDM4EALDH1A1
SCHEMBL8490129 0.68 ADORA2A (0.50) MAPTGAALMNAHSP90AA1ADORA2A

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