SCHEMBL5047433

SCHEMBL5047433

CCCCCCCCCCCc1nc(-c2ccc(C[NH+]([O-])Cc3ccc(C(F)(F)F)cc3)cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.58
HDAC1 Q13547 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC8 Q9BY41 4/20 0.56
SPHK1 Q9NYA1 4/20 0.49
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 2/20 0.49
S1PR2 O95136 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
PPARA Q07869 1/20 0.46
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.44
SPHK2 Q9NRA0 1/20 0.44

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
SCHEMBL6725294 0.85 S1PR1 (0.62) SIRT2HDAC1HDAC2HDAC8SPHK1
Hydrochloric Acid SCHEMBL1856614 0.84 S1PR1 (0.61) SIRT2HDAC1HDAC2HDAC8SPHK1
SCHEMBL4969074 0.81 SPHK1 (0.45) SPHK1S1PR1PPARANPC1RAB9A
SCHEMBL1853227 0.81 HDAC8 (0.64) SIRT2HDAC1HDAC2HDAC8SPHK1
SCHEMBL4669852 0.78 HDAC8 (0.58) SIRT2HDAC1HDAC2HDAC8SPHK1
SCHEMBL5047430 0.78 HDAC8 (0.53) SIRT2HDAC1HDAC2HDAC8SPHK1
SCHEMBL1851267 0.78 HDAC8 (0.58) SIRT2HDAC1HDAC2HDAC8SPHK1
SCHEMBL3264894 0.78 SPHK1 (0.67) SIRT2SPHK1S1PR1S1PR3S1PR2
SCHEMBL1854708 0.77 HDAC8 (0.56) SIRT2HDAC1HDAC2HDAC8SPHK1
SCHEMBL1857841 0.76 HDAC8 (0.56) SIRT2HDAC1HDAC2HDAC8SPHK1

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