SCHEMBL6950676

SCHEMBL6950676

CCOC(Cc1ccc(OCCn2ncc3cc(C)ccc3c2=O)cc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
PKM P14618 1/20 0.44
PPARG P37231 15/20 0.44
PPARD Q03181 2/20 0.44
KMT2A Q03164 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL8124004 0.92 PPARA (0.47) PPARANPC1RAB9AMITFPKM
SCHEMBL8116567 0.92 PPARA (0.53) PPARANPC1RAB9AMITFPKM
SCHEMBL6954546 0.88 NPC1 (0.59) PPARANPC1RAB9AMITFPKM
SCHEMBL8118173 0.84 PPARA (0.54) PPARANPC1RAB9AMITFPKM
SCHEMBL8131011 0.83 PPARA (0.53) PPARANPC1RAB9AMITFPKM
SCHEMBL8131977 0.83 PPARA (0.46) PPARANPC1RAB9AMITFPKM
SCHEMBL8123609 0.83 PPARA (0.53) PPARANPC1RAB9AMITFPKM
SCHEMBL8124015 0.82 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL8125818 0.82 PPARA (0.63) PPARANPC1RAB9AMITFPKM
SCHEMBL6956497 0.82 NPC1 (0.58) PPARANPC1RAB9AMITFPKM

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
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed