SCHEMBL7104714

SCHEMBL7104714

CCCCCCC1=C([Si](C)(C)C2=C(CCCCCC)[CH]c3cccc(-c4ccc(C5CCCCC5)cc4)c32)c2c(cccc2-c2ccc(C3CCCCC3)cc2)[CH]1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.36
S1PR1 P21453 3/20 0.35
S1PR5 Q9H228 2/20 0.35
DGAT1 O75907 1/20 0.33
S1PR3 Q99500 1/20 0.33
SPHK2 Q9NRA0 7/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7103970 0.96 S1PR1 (0.36) SPHK1S1PR1S1PR5DGAT1S1PR3
SCHEMBL7105430 0.92 S1PR1 (0.38) S1PR1S1PR5DGAT1S1PR3
SCHEMBL7106833 0.87 S1PR1 (0.39) S1PR1S1PR5DGAT1
SCHEMBL15668804 0.84 S1PR1 (0.38) S1PR1S1PR5DGAT1
SCHEMBL7109460 0.84 GCGR (0.38) NPC1RAB9A
SCHEMBL7109432 0.82 KDM4E (0.41) RAB9A
SCHEMBL7111520 0.82 TLR8 (0.38) NPC1RAB9A
SCHEMBL7110767 0.82 KDM4E (0.38) RAB9A
SCHEMBL7111531 0.82 KDM4E (0.40) RAB9A
SCHEMBL7108900 0.82 KDM4E (0.40) RAB9A

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-1053263-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP claimed