SCHEMBL14419862

SCHEMBL14419862

Cc1cc(OCC#Cc2cc(C#CCN3CCOCC3)cc(C#Cc3ccc([S+](C)[O-])cc3)c2)ccc1OCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.50
PPARA Q07869 5/20 0.50
PPARG P37231 4/20 0.50
APEX1 P27695 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL1775961 0.89 PPARD (0.53) PPARDPPARAPPARGAPEX1KDM4E
SCHEMBL1776492 0.89 KDM4E (0.56) PPARDPPARAPPARGAPEX1KDM4E
SCHEMBL1776443 0.88 PPARD (0.51) PPARDPPARAPPARGAPEX1KDM4E
SCHEMBL1744313 0.87 PPARD (0.52) PPARDPPARAPPARGAPEX1KDM4E
SCHEMBL1744311 0.87 PPARD (0.52) PPARDPPARAPPARGAPEX1KDM4E
SCHEMBL1744314 0.87 PPARD (0.52) PPARDPPARAPPARGAPEX1KDM4E
SCHEMBL1777106 0.87 PPARD (0.66) PPARDPPARAPPARG
SCHEMBL1775862 0.86 PPARD (0.59) PPARDPPARAPPARGAPEX1KDM4E
SCHEMBL1777987 0.82 PPARD (0.46) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL1778482 0.81 KDM4E (0.52) PPARDPPARAPPARGKDM4EALDH1A1

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
WO-2007101864-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-13 WO disclosed