SCHEMBL7948739

SCHEMBL7948739

C=CCc1oc2c(OC)cccc2c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
ABCB1 P08183 1/20 0.39
GAA P10253 1/20 0.39
SRD5A1 P18405 1/20 0.38
TBXA2R P21731 5/20 0.38
PTGIR P43119 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL7958785 0.82 TBXA2R (0.41) KDM4EALDH1A1HPGDCYP3A4MAOA
SCHEMBL7948955 0.80 MEN1 (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7956762 0.79 MEN1 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7962823 0.75 PTGIR (0.58) KDM4EALDH1A1HPGDTDP1TBXA2R
SCHEMBL7948958 0.75 MEN1 (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11316320 0.72 MAOA (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6390934 0.72 HSD17B10 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8683168 0.70 CA12 (0.55) KDM4EALDH1A1HPGDCYP3A4TDP1
SCHEMBL7057534 0.68 CA12 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5279447 0.68 MAOA (0.48) KDM4EALDH1A1HPGDMEN1KMT2A

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