SCHEMBL6502859

SCHEMBL6502859

Cc1ccc(-c2ccc(CC(OC(C)C)C(=O)O)cc2CNC(=O)c2ccc(OC3CCCC3)cc2Cl)s1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.36
HRH3 Q9Y5N1 3/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.36
WDR5 P61964 2/20 0.34
EPHX2 P34913 1/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KCNH2 Q12809 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
ACACB O00763 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
SCHEMBL6494217 0.94 S1PR3 (0.36) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6494327 0.91 EPHX2 (0.37) PPARGPPARAPPARDEPHX2
SCHEMBL6503035 0.90 S1PR3 (0.36) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6505766 0.89 PPARG (0.39) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6502406 0.87 HPGD (0.39) PPARGPPARAPPARDEPHX2
SCHEMBL6502969 0.86 S1PR3 (0.38) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6503457 0.86 PDE4A (0.42) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6503062 0.85 PDE4A (0.40) S1PR3HRH3PPARGPPARAPPARD
SCHEMBL6506584 0.85 PPARA (0.46) PPARGPPARAPPARD
SCHEMBL6505538 0.85 S1PR3 (0.38) S1PR3HRH3PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed