SCHEMBL5048708

SCHEMBL5048708

CCCCCCCCCCCc1noc(-c2ccc(C(NC(=O)C(=O)O)[C@H](C)c3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
PPARD Q03181 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
HDAC4 P56524 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5039728 1.00 PPARG (0.41) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL4970540 0.88 SPHK1 (0.41) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL5039579 0.88 PPARG (0.41) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL4965844 0.86 SPHK1 (0.42) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL6715546 0.85 PPARG (0.48) PPARGPPARAPPARDSPHK1
SCHEMBL5047608 0.80 KDM4E (0.39) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL5045551 0.80 KDM4E (0.39) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL5048992 0.80 KDM4E (0.39) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL6717440 0.78 PPARG (0.46) PPARGPPARAPPARDSPHK1CHRM2
SCHEMBL6717446 0.78 PPARG (0.46) PPARGPPARAPPARDSPHK1CHRM2

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 disclosed