SCHEMBL7103970

SCHEMBL7103970

CCCCC1=C([Si](C)(C)C2=C(CCCC)[CH]c3cccc(-c4ccc(C5CCCCC5)cc4)c32)c2c(cccc2-c2ccc(C3CCCCC3)cc2)[CH]1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.36
S1PR5 Q9H228 4/20 0.36
DGAT1 O75907 2/20 0.34
NOTUM Q6P988 2/20 0.33
S1PR3 Q99500 3/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL7104714 0.96 SPHK1 (0.36) S1PR1S1PR5DGAT1S1PR3SPHK1
SCHEMBL7105430 0.94 S1PR1 (0.38) S1PR1S1PR5DGAT1NOTUMS1PR3
SCHEMBL7106833 0.89 S1PR1 (0.39) S1PR1S1PR5DGAT1NOTUMNOS3
SCHEMBL15668804 0.86 S1PR1 (0.38) S1PR1S1PR5DGAT1NOTUM
SCHEMBL7109744 0.83 SMN1; SMN2 (0.34)
SCHEMBL7106920 0.82 HSD11B1 (0.38) S1PR1DGAT1
SCHEMBL7105395 0.81 TLR8 (0.34)
SCHEMBL7109565 0.81 HSD11B1 (0.35) S1PR1
SCHEMBL7110309 0.79 UCHL3 (0.37) DGAT1
SCHEMBL7105422 0.79 NPC1 (0.35) S1PR1S1PR5DGAT1

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