SCHEMBL6672708

SCHEMBL6672708

CCCCCCCCCCc1c(C(=O)O)ccc(C(=O)O)c1CCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.50
RARB P10826 7/20 0.49
PPARG P37231 1/20 0.47
KAT8 Q9H7Z6 2/20 0.47
ALDH1A1 P00352 2/20 0.46
RARA P10276 2/20 0.46
RARG P13631 1/20 0.46
PLK1 P53350 5/20 0.44
PLK3 Q9H4B4 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR35 Q9HC97 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL27209002 0.98 PPARA (0.48) PPARARARBPPARGKAT8ALDH1A1
SCHEMBL27208714 0.94 PPARA (0.50) PPARARARBPPARGKAT8ALDH1A1
SCHEMBL27208851 0.94 PPARA (0.50) PPARARARBPPARGKAT8ALDH1A1
SCHEMBL17995595 0.94 PPARA (0.50) PPARARARBPPARGKAT8ALDH1A1
SCHEMBL17999118 0.90 RARB (0.40) PPARARARBPPARGKAT8ALDH1A1
SCHEMBL28933309 0.89 PPARA (0.41) PPARARARBPPARGKAT8ALDH1A1
SCHEMBL6443257 0.88 PPARA (0.60) PPARARARBPPARGKAT8ALDH1A1
SCHEMBL93465 0.88 PPARA (0.60) PPARARARBPPARGKAT8ALDH1A1
SCHEMBL6864045 0.88 PPARA (0.60) PPARARARBPPARGKAT8ALDH1A1
SCHEMBL14836443 0.88 PPARA (0.60) PPARARARBPPARGKAT8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0978520-B1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO LTD (JP) 2004-09-29 EP disclosed