SCHEMBL4619969

SCHEMBL4619969

CCN1C(=O)NC(CS)(CC(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
CNR1 P21554 1/20 0.31
ELANE P08246 2/20 0.30
F2 P00734 1/20 0.30
CTSG P08311 1/20 0.30
CTRC Q99895 1/20 0.30
FPR2 P25090 3/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL4619941 0.82 FPR2 (0.38) POLBCNR1ELANEF2CTSG
SCHEMBL4619866 0.79 TSHR (0.33)
SCHEMBL4623950 0.77 CNR1 (0.33) POLBCNR1ELANEF2CTSG
SCHEMBL4621742 0.76 POLB (0.33) POLBELANEF2CTSGCTRC
SCHEMBL23130059 0.74 FPR2 (0.45) POLBELANEF2CTSGCTRC
SCHEMBL4621056 0.72 FPR2 (0.39) POLBELANEF2CTSGCTRC
SCHEMBL23129557 0.71 FPR2 (0.39) POLBCNR1ELANEF2CTSG
SCHEMBL1364096 0.69 POLB (0.41) POLBCNR1ELANEF2CTSG
SCHEMBL4621315 0.69 FPR2 (0.37) POLBCNR1FPR2MEN1MAPT
SCHEMBL4618724 0.68 ADAMTS5 (0.35)

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-1883454-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND Showa Denko K.K. (JP) 2008-02-06 EP disclosed
WO-2006126729-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO K.K. (JP) 2006-11-30 WO disclosed