SCHEMBL7956578

SCHEMBL7956578

O=C(O)COc1cccc2c1CCN2CCOCC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.42
HTR6 P50406 1/20 0.41
S1PR5 Q9H228 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 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
SCHEMBL7956698 0.91 PTGIR (0.41) PTGIRHTR6S1PR5
SCHEMBL7948728 0.86 PTGIR (0.54) PTGIRHTR6
SCHEMBL7958526 0.81 PTGIR (0.48) PTGIRHTR6PKM
SCHEMBL7962770 0.81 MEN1 (0.43) PTGIRHTR6POLBSMN1; SMN2GLA
SCHEMBL7737231 0.80 PTGIR (0.56) PTGIR
SCHEMBL7737197 0.79 PTGIR (0.45) PTGIRPKM
SCHEMBL7737153 0.76 PTGIR (0.47) PTGIR
SCHEMBL7739673 0.75 GRM7 (0.44) PTGIRHTR6
SCHEMBL7736514 0.75 PTGIR (0.46) PTGIR
SCHEMBL7739665 0.74 PTGIR (0.41) PTGIRPKM

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