SCHEMBL1750798

SCHEMBL1750798

CC(C)(C)C(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)s2)c1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.49
MAOA P21397 2/20 0.38
CISD1 Q9NZ45 2/20 0.38
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 6/20 0.36
FLT3 P36888 1/20 0.35
HPGDS O60760 1/20 0.35
PPARA Q07869 1/20 0.34
MPC2 O95563 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL1751602 0.80 FFAR1 (0.51) FFAR1MAOACISD1MAOBALDH1A1
SCHEMBL1749935 0.80 FFAR1 (0.54) FFAR1MAOACISD1MAOBALDH1A1
SCHEMBL5167756 0.79 FFAR1 (0.55) FFAR1MAOACISD1MAOBALDH1A1
SCHEMBL1751600 0.78 FFAR1 (0.51) FFAR1MAOACISD1PPARG
SCHEMBL5167615 0.78 FFAR1 (0.51) FFAR1MAOACISD1MAOBALDH1A1
SCHEMBL1750802 0.77 FFAR1 (0.48) FFAR1MAOACISD1MAOBALDH1A1
SCHEMBL5167942 0.76 FFAR1 (0.47) FFAR1MAOACISD1PPARGMPC2
SCHEMBL2217988 0.75 FFAR1 (0.43) FFAR1MAOACISD1MAOBALDH1A1
SCHEMBL1750360 0.74 PRF1 (0.47) MAOAMAOBPPARA
SCHEMBL1750363 0.74 PRF1 (0.47) MAOAMAOBPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022079-B2 Methods of modulating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-09-20 US disclosed
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP disclosed
EP-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP disclosed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 WO disclosed