SCHEMBL9920979

SCHEMBL9920979

Cc1cc(OC/C=C(\c2ccc(Cl)cc2)c2ccc(CN3CCOCC3)cc2)ccc1OCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.46
PPARG P37231 1/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42

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
SCHEMBL9921117 1.00 PPARD (0.49) PPARDPOLBAPEX1PPARGUSP2
SCHEMBL12159987 0.94 PPARD (0.50) PPARDPOLBAPEX1PPARGMCHR1
SCHEMBL12160008 0.94 PPARD (0.50) PPARDPOLBAPEX1PPARGMCHR1
SCHEMBL12159967 0.94 PPARD (0.50) PPARDPOLBAPEX1PPARGTSHR
SCHEMBL12160059 0.94 PPARD (0.50) PPARDPOLBAPEX1PPARGTSHR
SCHEMBL12160151 0.92 PPARD (0.58) PPARDPOLBAPEX1PPARGNPC1
SCHEMBL9921052 0.92 PPARD (0.49) PPARDPOLBAPEX1PPARGTSHR
SCHEMBL9920907 0.92 PPARD (0.49) PPARDPOLBAPEX1PPARGTSHR
SCHEMBL9920845 0.92 PPARD (0.52) PPARDPPARGTSHRNPC1MCHR1
SCHEMBL12160134 0.91 PPARD (0.48) PPARDPOLBAPEX1PPARGTSHR

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
EP-1979311-B1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-06-13 EP disclosed
EP-2386540-A1 Novel compounds, their preparation and use High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
WO-2007071766-A2 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS TRANSTECH PHARMA (US) 2007-06-28 WO disclosed