SCHEMBL2149058

SCHEMBL2149058

CCCCOC(=O)NC(CC(=O)O)c1ccc(OC)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TSHR P16473 2/20 0.43
BCHE P06276 1/20 0.42
TYR P14679 1/20 0.42
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSA P10619 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CASP1 P29466 1/20 0.38
HPGD P15428 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
SCHEMBL5502790 0.83 SMN1; SMN2 (0.47) FAAHTSHRSMN1; SMN2CYP2C19NPC1
SCHEMBL2320404 0.82 FAAH (0.59) FAAHSMN1; SMN2MAPK1CTSANPC1
SCHEMBL1721258 0.82 SMN1; SMN2 (0.39) FAAHTSHRSMN1; SMN2MAPK1CYSLTR2
SCHEMBL5088792 0.80 CTSA (0.51) POLBSMN1; SMN2MAPK1CYP1A2CYP2C19
SCHEMBL5199852 0.80 L3MBTL1 (0.40) FAAHTSHRPOLBSMN1; SMN2CTSA
SCHEMBL6251048 0.78 FAAH (0.41) FAAHTSHRSMN1; SMN2MAPK1CTSA
SCHEMBL6015437 0.76 ESR1 (0.41) FAAHTSHRSMN1; SMN2MAPK1CYP1A2
SCHEMBL5089567 0.76 CTSA (0.54) CTSA
SCHEMBL5499794 0.76 POLB (0.57) FAAHPOLBSMN1; SMN2MAPK1NPC1
SCHEMBL14040614 0.75 SMN1; SMN2 (0.57) FAAHTSHRPOLBSMN1; SMN2MAPK1

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