SCHEMBL4623950

SCHEMBL4623950

CCCCC1(CS)NC(=O)N(CC)C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 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
SCHEMBL4620224 0.89 CNR1 (0.38) CNR1KDM4EPKMPOLBRAB9A
SCHEMBL4619941 0.82 FPR2 (0.38) CNR1POLBELANEF2CTSG
SCHEMBL4620986 0.81 TYMP (0.37) CNR1KDM4EPKMELANE
SCHEMBL23129557 0.78 FPR2 (0.39) CNR1POLBELANEF2CTSG
SCHEMBL4619969 0.77 POLB (0.32) CNR1POLBELANEF2CTSG
SCHEMBL4622857 0.76 CNR1 (0.35) CNR1KDM4EPKMPOLBRAB9A
SCHEMBL7515622 0.75 SMN1; SMN2 (0.34) CNR1KDM4EPKMELANEF2
SCHEMBL23130059 0.74 FPR2 (0.45) KDM4EPOLBELANEF2CTSG
SCHEMBL4621315 0.72 FPR2 (0.37) CNR1POLBRAB9AFPR2MEN1
SCHEMBL11484679 0.71 DRD3 (0.34) CNR1KDM4EPKMPOLBRAB9A

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