SCHEMBL459074

SCHEMBL459074

CCCC(C)C(C)(C)C(=O)OC(=O)C(O)CO

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.34
CTSG P08311 3/20 0.34
CTRB1 P17538 3/20 0.34
CMA1 P23946 3/20 0.34
TSHR P16473 1/20 0.31
PRKCA P17252 1/20 0.30

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
SCHEMBL459075 0.77 LMNA (0.44) TSHRPRKCA
SCHEMBL1078737 0.76 PRKCA (0.36) TSHRPRKCA
SCHEMBL4314357 0.75 MMP8 (0.43) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL1067962 0.75 CHRM1 (0.34) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL3724149 0.73 CA1 (0.38) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL17780021 0.73 OR51E2 (0.36) TSHR
SCHEMBL11166165 0.73 CYP4F2 (0.36) PRKCA
SCHEMBL422728 0.72 LMNA (0.30)
SCHEMBL11160145 0.72 CHRM1 (0.41) TSHR
SCHEMBL22749118 0.72 DGAT1 (0.38) PRSS1CTSGCTRB1CMA1

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-20120022160-A1 COMPOSITION FOR EXTERNAL USE ON SKIN SHISEIDO COMPANY LTD. (JP) 2012-01-26 US disclosed