SCHEMBL4333095

SCHEMBL4333095

CC(C)OC(Cc1cccc(OCC(F)COc2ccc(Br)cc2F)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.40
PPARA Q07869 12/20 0.40
PPARD Q03181 8/20 0.40
AAK1 Q2M2I8 2/20 0.39
FFAR1 O14842 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PTGER1 P34995 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4334795 0.93 PPARG (0.40) PPARGPPARAPPARDAAK1FFAR1
SCHEMBL6652618 0.87 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL13819374 0.84 MRGPRX4 (0.47) PPARGPPARAPPARDAAK1MRGPRX4
SCHEMBL4336975 0.83 MRGPRX4 (0.43) PPARGPPARAPPARDFFAR1MRGPRX4
SCHEMBL4327930 0.83 MRGPRX4 (0.43) PPARGPPARAPPARDFFAR1MRGPRX4
SCHEMBL4327927 0.83 MRGPRX4 (0.43) PPARGPPARAPPARDFFAR1MRGPRX4
SCHEMBL4332539 0.82 PPARA (0.50) PPARGPPARAPPARDFFAR1MRGPRX4
SCHEMBL4332536 0.82 PPARA (0.50) PPARGPPARAPPARDFFAR1MRGPRX4
SCHEMBL4339171 0.82 PPARA (0.50) PPARGPPARAPPARDFFAR1MRGPRX4
SCHEMBL4328248 0.81 SCN4A (0.46) PPARGPPARAPPARDMRGPRX4

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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed