SCHEMBL2149298

SCHEMBL2149298

CC#CCOC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 7/20 0.53
MC4R P32245 6/20 0.53
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
HDAC8 Q9BY41 2/20 0.40
ADORA1 P30542 1/20 0.40
P2RX7 Q99572 2/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL16444994 0.90 MC1R (0.57) MC1RMC4RKMT2A
SCHEMBL1310765 0.83 MC1R (0.48) MC1RMC4RHDAC8
SCHEMBL1310763 0.83 MC1R (0.48) MC1RMC4RHDAC8
SCHEMBL1310087 0.81 MC1R (0.64) MC1RMC4RHDAC8
SCHEMBL1309794 0.80 MC1R (0.44) MC1RMC4R
SCHEMBL1310472 0.80 MC1R (0.60) MC1RMC4RHDAC8
SCHEMBL2148982 0.79 MC1R (0.57) MC1RMC4RHRH2HRH1ALDH1A1
SCHEMBL16188227 0.77 MC1R (0.72) MC1RMC4RKMT2A
SCHEMBL2154189 0.77 MC1R (0.58) MC1RMC4RHDAC8
SCHEMBL1310138 0.76 MMP13 (0.39) HDAC8

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-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP disclosed
WO-2010052253-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 WO disclosed