SCHEMBL5044844

SCHEMBL5044844

CCCCCCCCc1noc(-c2ccc(C(CCc3ccc(Cl)c(Cl)c3)NC(=O)C(=O)O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.43
S1PR1 P21453 3/20 0.41
S1PR5 Q9H228 3/20 0.41
LIPG Q9Y5X9 1/20 0.38
PAX8 Q06710 1/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 4/20 0.38
CHRM4 P08173 4/20 0.38
CHRM5 P08912 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
SRC P12931 2/20 0.37
ZAP70 P43403 1/20 0.37
S1PR4 O95977 2/20 0.37
PPARD Q03181 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4967593 0.89 SPHK1 (0.41) SPHK1S1PR1S1PR5CHRM2CHRM4
SCHEMBL6023066 0.82 ALDH1A1 (0.41) SPHK1S1PR1S1PR5CHRM2CHRM4
SCHEMBL5044258 0.81 SPHK1 (0.43) SPHK1S1PR1S1PR5KCNH2CHRM2
SCHEMBL5044385 0.81 SPHK1 (0.43) SPHK1S1PR1S1PR5KCNH2CHRM2
SCHEMBL1851791 0.80 SPHK1 (0.45) SPHK1S1PR1S1PR5CHRM2CHRM4
SCHEMBL1853209 0.80 SPHK1 (0.45) SPHK1S1PR1S1PR5CHRM2CHRM4
SCHEMBL6715546 0.79 PPARG (0.48) SPHK1PPARGPPARASRCPPARD
SCHEMBL4313098 0.79 SPHK1 (0.41) SPHK1S1PR1S1PR5CHRM2CHRM4
SCHEMBL1857847 0.79 SPHK1 (0.41) SPHK1S1PR1S1PR5CHRM2CHRM4
SCHEMBL5039515 0.76 SPHK1 (0.42) SPHK1S1PR1S1PR5CHRM2CHRM4

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