SCHEMBL7956378

SCHEMBL7956378

CCCOCC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HTR2A P28223 5/20 0.40
HRH1 P35367 5/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRL1 P41146 1/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37

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
SCHEMBL27812911 0.88 LTA4H (0.46) CA12CA1CA2CA9HTR2A
SCHEMBL14269139 0.85 ALDH1A1 (0.42) CA12CA1CA2CA9HTR2A
SCHEMBL22456914 0.83 TAAR1 (0.47) HSD17B10LMNAMAPTTAAR1TDP1
SCHEMBL12064345 0.83 TAAR1 (0.47) HSD17B10LMNAMAPTTAAR1TDP1
SCHEMBL25336787 0.82 FFAR1 (0.47) LMNAMAPTMEN1KMT2ACYP1A2
SCHEMBL30338516 0.82 HTR2A (0.41) HSD17B10HTR2ALMNATDP1MEN1
SCHEMBL10511898 0.82 LMNA (0.55) HSD17B10LMNAMAPT
SCHEMBL30338419 0.82 HSD17B10 (0.38) HSD17B10LMNAMAPTTDP1MEN1
SCHEMBL7129055 0.81 HTR2A (0.50) CA12CA1CA2CA9HTR2A
SCHEMBL14199088 0.81 HRH1 (0.45) HTR2AHRH1LMNATAAR1TDP1

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