SCHEMBL5383045

SCHEMBL5383045

COC(=O)CCCCCCC(=O)N(C)Cc1cc(-c2ccccc2)ccc1CC1SC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
CA2 P00918 1/20 0.41
PPARG P37231 4/20 0.38
LTB4R Q15722 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
PTPN1 P18031 1/20 0.35
RARG P13631 1/20 0.35
RXRA P19793 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
AOC3 Q16853 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL6986558 0.90 FFAR1 (0.41) FFAR1CA2PPARGPIM3PIM2
SCHEMBL5390713 0.86 FFAR1 (0.52) FFAR1PPARGRARGRXRAAOC3
SCHEMBL5397263 0.86 FFAR1 (0.52) FFAR1PPARGRARGRXRAAOC3
SCHEMBL5383052 0.83 FFAR1 (0.40) FFAR1CA2PPARGLTB4RTDP1
SCHEMBL5760347 0.83 FFAR1 (0.47) FFAR1CA2PPARGPIM3PIM2
SCHEMBL27599885 0.81 FFAR1 (0.39) FFAR1CA2PPARGPIM3PIM2
SCHEMBL27599883 0.79 FFAR1 (0.44) FFAR1CA2PPARGPIM3PIM2
SCHEMBL5763775 0.78 FFAR1 (0.53) FFAR1PPARGRARGRXRAAOC3
SCHEMBL5762681 0.78 FFAR1 (0.53) FFAR1PPARGRARGRXRAAOC3
SCHEMBL5397356 0.77 FFAR1 (0.52) FFAR1PPARGRARGRXRAAOC3

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
US-7294639-B2 Biaromatic ligand activators of PPARγ receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-11-13 US disclosed