SCHEMBL4620874

SCHEMBL4620874

CCN1C(=O)NC(S)(CC)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CTRC Q99895 1/20 0.37
LMNA P02545 3/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MGLL Q99685 1/20 0.33
CYP2C19 P33261 3/20 0.33
CNR1 P21554 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 2/20 0.30
CHRM2 P08172 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
SCHEMBL4621297 0.84 POLB (0.35) POLBF2ELANECTSGCTRC
SCHEMBL4620473 0.84 CNR1 (0.36) POLBLMNAALDH1A1CYP2C19CNR1
SCHEMBL4622857 0.81 CNR1 (0.35) POLBF2ELANECTSGCTRC
SCHEMBL4621742 0.81 POLB (0.33) POLBF2ELANECTSGCTRC
SCHEMBL4618919 0.77 TSHR (0.44) POLBLMNACYP2C19
SCHEMBL1363086 0.77 POLB (0.43) POLBF2ELANECTSGCTRC
SCHEMBL23130059 0.74 FPR2 (0.45) POLBF2ELANECTSGCTRC
SCHEMBL20614629 0.72 FPR2 (0.47) POLBF2ELANECTSGCTRC
SCHEMBL19853470 0.72 FPR2 (0.47) POLBF2ELANECTSGCTRC
SCHEMBL4618925 0.72 POLB (0.35) POLBF2ELANECTSGCTRC

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