SCHEMBL7090957

SCHEMBL7090957

CN(C)c1ccc(C(=O)NCCc2cccc(-c3ccc(CC4SC(=O)NC4=O)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.49
PPARG P37231 6/20 0.43
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
MCHR1 Q99705 2/20 0.42
MPC2 O95563 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
NAMPT P43490 1/20 0.41
AOC3 Q16853 3/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6526188 0.89 FFAR1 (0.59) FFAR1PPARGMCHR1MPC2CYP2C8
SCHEMBL6185086 0.86 FFAR1 (0.55) FFAR1PPARGMCHR1MPC2CYP2C8
SCHEMBL7565841 0.84 FFAR1 (0.52) FFAR1PPARGMCHR1MPC2CYP2C8
SCHEMBL7089664 0.84 FFAR1 (0.52) FFAR1PPARGMCHR1MPC2CYP2C8
SCHEMBL6477698 0.84 FFAR1 (0.57) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6473379 0.83 FFAR1 (0.61) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL5399583 0.83 FFAR1 (0.61) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6181638 0.83 FFAR1 (0.52) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6477731 0.80 FFAR1 (0.51) FFAR1PPARGMPC2CYP2C8CYP2C9
SCHEMBL6473029 0.79 FFAR1 (0.55) FFAR1PPARGMPC2CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309575-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS Galderma Research & Development (FR) 2003-05-14 EP claimed
WO-2002012210-A9 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RES & DEV (FR) 2002-04-18 WO claimed
WO-2002012210-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-14 WO claimed
EP-1309575-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS Galderma Research & Development (FR) 2003-05-14 EP disclosed
WO-2002012210-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-14 WO disclosed