SCHEMBL5049034

SCHEMBL5049034

CCCCCCCCc1noc(-c2ccc(CC([NH])c3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.44
PPARA Q07869 8/20 0.44
PPARD Q03181 4/20 0.44
SPHK1 Q9NYA1 3/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SPHK2 Q9NRA0 3/20 0.40
S1PR1 P21453 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 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
SCHEMBL5045783 0.89 PPARG (0.44) PPARGPPARAPPARDSPHK1NPC1
SCHEMBL5048947 0.86 HDAC1 (0.35) SPHK1
SCHEMBL5045607 0.85 NPC1 (0.41) PPARGPPARAPPARDSPHK1NPC1
SCHEMBL5044166 0.83 NPC1 (0.45) PPARGPPARAPPARDSPHK1NPC1
SCHEMBL1857189 0.82 SPHK1 (0.46) PPARGPPARAPPARDSPHK1NPC1
SCHEMBL1856411 0.82 SPHK1 (0.46) PPARGPPARAPPARDSPHK1NPC1
SCHEMBL1856616 0.82 SPHK1 (0.46) PPARGPPARAPPARDSPHK1NPC1
SCHEMBL6783418 0.82 NPC1 (0.47) PPARGPPARAPPARDSPHK1NPC1
SCHEMBL1855183 0.82 SPHK1 (0.51) PPARGPPARAPPARDSPHK1NPC1
SCHEMBL6725380 0.82 SPHK1 (0.51) PPARGPPARAPPARDSPHK1NPC1

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