SCHEMBL20450445

SCHEMBL20450445

CCCCOC1(c2ccccc2)CN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)C(Cc2c[nH]cn2)NS(C)(=O)=O)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 9/20 0.52
MC4R P32245 8/20 0.52
MC5R P33032 1/20 0.44
MC3R P41968 1/20 0.44
PTPN1 P18031 4/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP3 P08254 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
PSMB8 P28062 2/20 0.35
PSMB5 P28074 2/20 0.35
PSMB1 P20618 1/20 0.35
PSMB9 P28065 1/20 0.35

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
SCHEMBL1312766 1.00 MC1R (0.52) MC1RMC4RMC5RMC3RPTPN1
Butyramide SCHEMBL2153673 0.96 MC1R (0.48) MC1RMC4RMC5RMC3RPTPN1
SCHEMBL1310614 0.90 MC1R (0.53) MC1RMC4RMC5RMC3RPTPN1
SCHEMBL20450380 0.90 MC1R (0.53) MC1RMC4RMC5RMC3RPTPN1
SCHEMBL20450397 0.89 MC1R (0.55) MC1RMC4RMC5RMC3RPTPN1
SCHEMBL2153417 0.87 MC1R (0.53) MC1RMC4RMC5RMC3RITGB3
SCHEMBL20450418 0.86 MC1R (0.53) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1311171 0.86 MC1R (0.53) MC1RMC4RMC5RMC3RITGB3
SCHEMBL20450374 0.86 MC1R (0.65) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1313377 0.86 MC1R (0.65) MC1RMC4RMC5RMC3RITGB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342194-B1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2018-08-08 EP claimed