SCHEMBL13987237

SCHEMBL13987237

CN(C1Cc2ccc(C(=O)CCCCCl)cc2C1)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.37
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
GSR P00390 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.33
TBXA2R P21731 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL13988019 0.89 HSD17B3 (0.43) THRATHRBCA12CA1CA2
SCHEMBL13987235 0.83 MCHR1 (0.40) MCHR1KDM4EL3MBTL1SLC6A4CTNNB1
SCHEMBL13987756 0.80 MCHR1 (0.36) MCHR1THRATHRBKDM4EL3MBTL1
SCHEMBL4856324 0.80 MCHR1 (0.43) MCHR1TBXA2RCA12CA1CA2
SCHEMBL13987764 0.79 SLC2A1 (0.39) MCHR1TBXA2R
SCHEMBL13987755 0.77 ACHE (0.41)
SCHEMBL4853275 0.75 MCHR1 (0.59) MCHR1CA12CA1CA2CA7
SCHEMBL11678805 0.72 L3MBTL1 (0.54) KDM4EL3MBTL1CTNNB1WNT3A
SCHEMBL13988036 0.72 HSD17B3 (0.44) MCHR1THRATHRBCA12CA1
SCHEMBL4857615 0.71 MCHR1 (0.61) MCHR1CTNNB1WNT3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed