SCHEMBL1400890

SCHEMBL1400890

CCCCCCC(=O)N(C)Cc1cc(-c2sc(CCC(=O)O)cc2CCC)cs1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
PPARA Q07869 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
GPR35 Q9HC97 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CDC25A P30304 6/20 0.32
CDC25B P30305 6/20 0.32
CDC25C P30307 5/20 0.32
SCD O00767 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL68438 0.86 ESR1 (0.35) MAPTRAB9ASMN1; SMN2
SCHEMBL67519 0.86 EPHX2 (0.42) EPHX2PPARAKDM5AKDM4CPHF8
SCHEMBL68783 0.83 AOC3 (0.41) RAB9A
SCHEMBL1401045 0.83 ACHE (0.34) MAPTRAB9ASMN1; SMN2
SCHEMBL68745 0.79 FFAR1 (0.42) MAPT
SCHEMBL68144 0.77 LTB4R2 (0.39) EPHX2MAPTRAB9ASMN1; SMN2
SCHEMBL68003 0.75 EPHX2 (0.33) EPHX2MAPTRAB9ASMN1; SMN2
SCHEMBL68004 0.75 EPHX2 (0.33) EPHX2MAPTRAB9ASMN1; SMN2
SCHEMBL69410 0.75 AOC3 (0.43) RAB9A
SCHEMBL67070 0.72 RXRA (0.44)

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 3 patents. 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
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP claimed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO claimed