SCHEMBL6502616

SCHEMBL6502616

Cc1ccc(-c2nc(C(=O)NCc3cc(CC(OC(C)C)C(=O)O)ccc3-c3cccs3)c(C)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.40
PPARA Q07869 9/20 0.38
PPARD Q03181 5/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HDAC1 Q13547 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6498868 0.91 PPARA (0.40) PPARGPPARAPPARD
SCHEMBL6506183 0.90 PPARA (0.39) PPARGPPARAPPARDKDM4E
SCHEMBL6504694 0.88 PPARA (0.38) PPARGPPARAPPARDTP53MAPT
SCHEMBL6498964 0.87 PPARA (0.39) PPARGPPARAPPARDTP53HDAC1
SCHEMBL6505714 0.86 NPC1 (0.41) PPARGPPARAPPARDLMNATP53
SCHEMBL6495514 0.85 PPARA (0.40) PPARGPPARAPPARD
SCHEMBL6498808 0.84 PPARA (0.44) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL6502884 0.84 PPARG (0.43) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL7676301 0.84 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL6496886 0.83 PPARG (0.41) PPARGPPARAPPARDLMNATP53

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