SCHEMBL5044735

SCHEMBL5044735

CCCCCCCCCCCc1noc(-c2cccc(C(Cc3ccc(C(F)(F)F)cc3)[N][O])c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.44
PPARA Q07869 9/20 0.44
PPARD Q03181 6/20 0.44
ALDH1A1 P00352 2/20 0.39
OPRL1 P41146 1/20 0.37
SPHK1 Q9NYA1 3/20 0.36
SPHK2 Q9NRA0 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL5039869 0.92 PPARG (0.43) PPARGPPARAPPARDALDH1A1SPHK1
SCHEMBL5044443 0.88 ALDH1A1 (0.39) PPARGPPARAPPARDALDH1A1SPHK1
SCHEMBL5046490 0.85 ALDH1A1 (0.39) PPARGPPARAPPARDALDH1A1SPHK1
SCHEMBL5039859 0.84 PPARG (0.41) PPARGPPARAPPARDALDH1A1SPHK1
SCHEMBL6719243 0.78 SPHK1 (0.43) PPARGPPARAPPARDALDH1A1OPRL1
SCHEMBL5045783 0.78 PPARG (0.44) PPARGPPARAPPARDALDH1A1SPHK1
SCHEMBL5043971 0.77 SPHK1 (0.40) PPARGPPARAPPARDALDH1A1SPHK1
Hydrochloric Acid SCHEMBL1856212 0.77 SPHK1 (0.44) PPARGPPARAPPARDALDH1A1OPRL1
SCHEMBL6783418 0.77 NPC1 (0.47) PPARGPPARAPPARDALDH1A1OPRL1
SCHEMBL5049034 0.77 PPARG (0.44) PPARGPPARAPPARDALDH1A1SPHK1

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed