SCHEMBL1400699

SCHEMBL1400699

CCCCCCCCC(=O)N(C)Cc1cc(-c2ccc(CC(C)C(=O)O)cc2OCC(C)C)cs1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
PTGER1 P34995 2/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
PPARA Q07869 1/20 0.34
PSMB5 P28074 2/20 0.33
BCHE P06276 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL1400940 0.89 S1PR1 (0.40) PTGER1PTGER4PTGER3PTGER2PPARA
SCHEMBL69550 0.86 CYP3A4 (0.37) ALOX15CYP2D6CYP2C19
SCHEMBL69837 0.84 AKR1C3 (0.44) SMN1; SMN2
SCHEMBL69838 0.84 AKR1C3 (0.44) SMN1; SMN2
SCHEMBL67070 0.81 RXRA (0.44) CYP2C19LTB4R2PPARG
SCHEMBL1400849 0.80 PPARG (0.37) PTGER1PTGER4PTGER3PTGER2PPARA
SCHEMBL68946 0.78 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2LTB4R2
SCHEMBL70089 0.78 CYP1A2 (0.38) PPARACYP2C19PPARG
SCHEMBL67082 0.75 PPARG (0.42) ITGB3ITGA2BSMN1; SMN2PTGESALOX5
SCHEMBL1750047 0.74 PPARA (0.42) PPARAPPARG

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-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP claimed