SCHEMBL28319554

SCHEMBL28319554

CCCCc1cc(CCCC)c(OP(O)OCC(CC)(CO)CCCC)c(CCCC)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 3/20 0.32
SPHK2 Q9NRA0 2/20 0.30
SPHK1 Q9NYA1 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2952158 0.77 CYP3A4 (0.32)
SCHEMBL2951546 0.77 NR5A2 (0.32)
SCHEMBL27602281 0.74 NPC1 (0.41) S1PR1S1PR3NPC1HPGDMAPK1
SCHEMBL27914751 0.73 NPC1 (0.42) S1PR1S1PR3SPHK2SPHK1NPC1
SCHEMBL27771834 0.72 HPGD (0.43) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL15404574 0.71 NPC1 (0.31) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6231242 0.70
SCHEMBL4945117 0.68
SCHEMBL15404575 0.67 NPC1 (0.31) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9356056 0.64 PTGS2 (0.42) S1PR1S1PR3HTT

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
CN-110256819-A Polymer blend 朗盛德国有限责任公司 2019-09-20 CN claimed