SCHEMBL22280451

SCHEMBL22280451

FC(F)(F)c1cc(-c2noc([C@@H]3CCCNC3)n2)ccc1OCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.46
SPHK1 Q9NYA1 2/20 0.43
S1PR1 P21453 11/20 0.43
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
NR1H4 Q96RI1 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
Hydrochloric Acid SCHEMBL22265512 0.99 SPHK2 (0.47) SPHK2SPHK1S1PR1TLR9TLR8
Hydrochloric Acid SCHEMBL22265514 0.99 SPHK2 (0.47) SPHK2SPHK1S1PR1TLR9TLR8
SCHEMBL22280631 0.91 S1PR1 (0.46) SPHK2SPHK1S1PR1
Hydrochloric Acid SCHEMBL29523923 0.91 SPHK2 (0.47) SPHK2SPHK1S1PR1
Hydrochloric Acid SCHEMBL22265317 0.86 SPHK2 (0.62) SPHK2SPHK1S1PR1TLR9TLR8
Hydrochloric Acid SCHEMBL22265609 0.86 SPHK2 (0.62) SPHK2SPHK1S1PR1TLR9TLR8
Hydrochloric Acid SCHEMBL22266069 0.86 SPHK2 (0.62) SPHK2SPHK1S1PR1TLR9TLR8
Hydrochloric Acid SCHEMBL22265318 0.86 SPHK2 (0.62) SPHK2SPHK1S1PR1TLR9TLR8
Hydrochloric Acid SCHEMBL22265315 0.86 SPHK2 (0.62) SPHK2SPHK1S1PR1TLR9TLR8
Hydrochloric Acid SCHEMBL22266067 0.86 SPHK2 (0.62) SPHK2SPHK1S1PR1TLR9TLR8

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