SCHEMBL5048995

SCHEMBL5048995

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR1 P21453 3/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 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
SCHEMBL4967090 1.00 SPHK1 (0.41) SPHK1PPARGPPARAPPARDNPC1
SCHEMBL4969014 1.00 SPHK1 (0.41) SPHK1PPARGPPARAPPARDNPC1
SCHEMBL4969074 0.87 SPHK1 (0.45) SPHK1PPARGPPARAPPARDNPC1
SCHEMBL4967733 0.85 SPHK1 (0.45) SPHK1PPARGPPARAPPARDNPC1
SCHEMBL1856411 0.81 SPHK1 (0.46) SPHK1PPARGPPARAPPARDNPC1
SCHEMBL1857189 0.81 SPHK1 (0.46) SPHK1PPARGPPARAPPARDNPC1
SCHEMBL1856616 0.81 SPHK1 (0.46) SPHK1PPARGPPARAPPARDNPC1
SCHEMBL5049034 0.81 PPARG (0.44) SPHK1PPARGPPARAPPARDNPC1
SCHEMBL6721407 0.80 PPARG (0.41) SPHK1PPARGPPARAPPARDNPC1
SCHEMBL6717446 0.79 PPARG (0.46) SPHK1PPARGPPARAPPARDNPC1

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