SCHEMBL20450384

SCHEMBL20450384

COc1ccc(CC(NC(=O)CCc2c[nH]cn2)C(=O)N2CC(OCC3CC3)(c3ccccc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 6/20 0.52
MC4R P32245 5/20 0.52
MC5R P33032 1/20 0.42
MC3R P41968 1/20 0.42
YAP1 P46937 12/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL1310829 1.00 MC1R (0.52) MC1RMC4RMC5RMC3RYAP1
SCHEMBL1312855 0.92 MC1R (0.63) MC1RMC4RMC5RMC3RYAP1
SCHEMBL1310154 0.92 MC1R (0.63) MC1RMC4RMC5RMC3RYAP1
SCHEMBL20450366 0.92 MC1R (0.63) MC1RMC4RMC5RMC3RYAP1
SCHEMBL2154559 0.89 MC1R (0.62) MC1RMC4RMC5RMC3RYAP1
SCHEMBL1310782 0.89 MC1R (0.47) MC1RMC4RMC5RMC3RYAP1
SCHEMBL1313377 0.89 MC1R (0.65) MC1RMC4RMC5RMC3RHDAC3
SCHEMBL20450374 0.89 MC1R (0.65) MC1RMC4RMC5RMC3RHDAC3
SCHEMBL20450408 0.88 MC1R (0.64) MC1RMC4RMC5RMC3RHDAC3
SCHEMBL20450406 0.88 MC1R (0.64) MC1RMC4RMC5RMC3RHDAC3

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