SCHEMBL5043971

SCHEMBL5043971

CCCCCCCCCCCc1noc(-c2ccc(C(Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)[N][O])cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.40
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SPHK2 Q9NRA0 3/20 0.34
PPARG P37231 5/20 0.34
PPARA Q07869 5/20 0.34
S1PR1 P21453 2/20 0.34
S1PR5 Q9H228 1/20 0.34
PPARD Q03181 3/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP12 P39900 3/20 0.33
MMP13 P45452 2/20 0.33

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
SCHEMBL5044443 0.90 ALDH1A1 (0.39) SPHK1NPC1ALDH1A1MAPTRAB9A
SCHEMBL1853892 0.82 SPHK1 (0.49) SPHK1NPC1ALDH1A1MAPTRAB9A
SCHEMBL1854246 0.82 SPHK1 (0.49) SPHK1NPC1ALDH1A1MAPTRAB9A
SCHEMBL5039515 0.82 SPHK1 (0.42) SPHK1PPARGPPARAS1PR1S1PR5
SCHEMBL5043973 0.82 SPHK1 (0.45) SPHK1NPC1ALDH1A1MAPTRAB9A
SCHEMBL5039859 0.81 PPARG (0.41) SPHK1NPC1ALDH1A1MAPTRAB9A
SCHEMBL5041065 0.80 SPHK1 (0.42) SPHK1NPC1ALDH1A1MAPTRAB9A
SCHEMBL6806239 0.80 SPHK1 (0.42) SPHK1NPC1ALDH1A1MAPTRAB9A
SCHEMBL5040963 0.79 KDM4E (0.42) SPHK1NPC1ALDH1A1MAPTRAB9A
SCHEMBL6024036 0.78 SPHK1 (0.40) SPHK1NPC1ALDH1A1MAPTRAB9A

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed