SCHEMBL4724326

SCHEMBL4724326

CCC(=O)N1CSc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
HSD17B3 P37058 1/20 0.51
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES1 P23141 1/20 0.41
BCHE P06276 1/20 0.41
DRD4 P21917 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
ADORA1 P30542 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL28119066 0.81 BCHE (0.56) NOTUMHSD17B3NPSR1POLBSMN1; SMN2
SCHEMBL1754049 0.79 NOTUM (0.53) NOTUMHSD17B3POLBKDM4ESMN1; SMN2
SCHEMBL28307229 0.78 BCHE (0.58) NOTUMPOLBKDM4ESMN1; SMN2BCHE
SCHEMBL5026715 0.77 NOTUM (0.51) NOTUMHSD17B3KDM4ESMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL27756629 0.77 NOTUM (0.51) NOTUMHSD17B3POLBKDM4ESMN1; SMN2
SCHEMBL11407839 0.77 BCHE (0.54) NOTUMHSD17B3POLBKDM4ESMN1; SMN2
Acetic Acid SCHEMBL5028762 0.75 NOTUM (0.54) NOTUMHSD17B3POLBKDM4ESMN1; SMN2
SCHEMBL11193164 0.75 NOTUM (0.49) NOTUMHSD17B3POLBKDM4ESMN1; SMN2
SCHEMBL21765696 0.74 POLB (0.57) NOTUMNPSR1POLBKDM4EHTT
SCHEMBL4629227 0.74 NOTUM (0.44) NOTUMHSD17B3NPSR1KDM4ESMN1; SMN2

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-1998741-A1 SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS UNILEVER PLC (GB) 2008-12-10 EP disclosed
WO-2007112854-A1 SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS UNILEVER PLC (GB) 2007-10-11 WO disclosed