SCHEMBL22280466

SCHEMBL22280466

CCCCC(CC)c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)c(C(F)(F)F)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.49
SPHK1 Q9NYA1 5/20 0.49
S1PR1 P21453 12/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL22280486 0.86 SMPD1 (0.53) S1PR1
SCHEMBL19430786 0.81 S1PR1 (0.47) SPHK2S1PR1
SCHEMBL22280642 0.79 S1PR1 (0.39) SPHK2SPHK1S1PR1
SCHEMBL19430707 0.76 SPHK2 (0.53) SPHK2S1PR1
SCHEMBL19430878 0.74 S1PR1 (0.50) SPHK2S1PR1
SCHEMBL19430398 0.72 S1PR1 (0.45) SPHK2S1PR1
SCHEMBL17666209 0.72 NPSR1 (0.39) SPHK2S1PR1
SCHEMBL22280463 0.72 SPHK2 (0.62) SPHK2SPHK1S1PR1RXRARXRB
SCHEMBL17666215 0.72 SPHK2 (0.42) SPHK2S1PR1
Hydrochloric Acid SCHEMBL29523175 0.72 SPHK2 (0.62) SPHK2SPHK1S1PR1

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
WO-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed