SCHEMBL7081271

SCHEMBL7081271

COC(=O)[C@]1(S(C)(=O)=O)CCCN1O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL8501551 0.75 CYP3A4 (0.52) NPSR1TP53
SCHEMBL8525528 0.74 MMP13 (0.43)
SCHEMBL8498354 0.74 MMP9 (0.50)
SCHEMBL7212256 0.71 NPSR1 (0.38) NPSR1USP2
SCHEMBL22722982 0.67
SCHEMBL4892039 0.66 NPSR1 (0.67) NPSR1
SCHEMBL20447427 0.65 NPSR1 (0.59) NPSR1TP53
SCHEMBL21797972 0.64 NPSR1 (0.53) NPSR1TP53
SCHEMBL998215 0.63 HPGD (0.35) NPSR1USP2
SCHEMBL6816556 0.62 NPSR1 (0.41) NPSR1USP2

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
EP-1326600-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO Curis, Inc. (US) 2003-07-16 EP disclosed
WO-2002030421-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS, INC. (US) 2002-04-18 WO disclosed