SCHEMBL7325430

SCHEMBL7325430

C=Cc1cccc(SCCCCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 3/20 0.38
THRB P10828 2/20 0.37
THRA P10827 1/20 0.36
CNR2 P34972 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SOAT1 P35610 8/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL28372080 1.00 TP53 (0.41) TP53TDP1PTGS2THRBTHRA
SCHEMBL11443820 0.84 THRB (0.40) TDP1PTGS2THRBTHRACNR2
SCHEMBL11443833 0.84 THRB (0.40) TDP1PTGS2THRBTHRACNR2
SCHEMBL7325426 0.84 SOAT1 (0.38) THRBTHRACNR2MAOAMAOB
SCHEMBL11429530 0.84 THRB (0.40) TDP1PTGS2THRBTHRACNR2
SCHEMBL11431899 0.84 THRB (0.40) TDP1PTGS2THRBTHRACNR2
SCHEMBL11431849 0.84 THRB (0.40) TDP1PTGS2THRBTHRACNR2
SCHEMBL10497865 0.84 THRB (0.40) TDP1PTGS2THRBTHRACNR2
SCHEMBL11430039 0.84 THRB (0.40) TDP1PTGS2THRBTHRACNR2
SCHEMBL25832110 0.80 THRB (0.46) PTGS2THRBTHRAMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed