SCHEMBL11570912

SCHEMBL11570912

CCCCCCCC(Cc1ccc(I)cc1)OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.42
FOLH1 Q04609 3/20 0.41
CSNK1E P49674 1/20 0.40
GLS2 Q9UI32 3/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
PPARA Q07869 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 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
SCHEMBL11571147 1.00 CTSK (0.42) CTSKFOLH1CSNK1EGLS2CTSL
SCHEMBL11571422 0.99 CTSK (0.43) CTSKFOLH1CSNK1EGLS2CTSL
SCHEMBL11571149 0.90 CTSK (0.40) CTSKFOLH1CSNK1EGLS2CTSL
SCHEMBL11571250 0.90 CTSK (0.40) CTSKFOLH1CSNK1EGLS2CTSL
SCHEMBL11571420 0.89 CTSK (0.41) CTSKFOLH1GLS2CTSLCTSB
SCHEMBL11569835 0.88 CTSK (0.45) CTSKFOLH1CTSLCTSB
SCHEMBL11569699 0.88 S1PR2 (0.46) ALDH1A1S1PR2S1PR1
SCHEMBL1841343 0.87 CTSK (0.53) CTSKCSNK1ECTSLCTSBALDH1A1
SCHEMBL1837115 0.87 CTSK (0.53) CTSKCSNK1ECTSLCTSBALDH1A1
SCHEMBL1839268 0.87 CTSK (0.53) CTSKCSNK1ECTSLCTSBALDH1A1

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-4175544-A X-RAYS OF BODY FOR MEDICAL DIAGNOSIS Lafayette Pharmacal Inc. (US) 1979-11-27 US disclosed