SCHEMBL7952953

SCHEMBL7952953

[CH2]COC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
TSHR P16473 2/20 0.69
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
TPMT P51580 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
HSD17B2 P37059 1/20 0.55
MAPK1 P28482 2/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL7954363 0.87 MAPT (0.65) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL11245864 0.86 MAPT (0.73) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL1660365 0.84 HSD17B2 (0.76) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL30506315 0.84 HSD17B2 (0.76) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7952900 0.84 HDAC6 (0.62) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7634506 0.83 MAPT (0.56) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7956506 0.83 HDAC6 (0.65) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL11245183 0.83 HDAC6 (0.69) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL6430392 0.82 MAPT (0.63) MAPTTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7959660 0.82 HDAC6 (0.68) MAPTTSHRCYP1A2CYP3A4CYP2C9

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
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed