SCHEMBL7105433

SCHEMBL7105433

CCCC1=Cc2c(-c3ccc(C4CCCCC4)cc3)cccc2C1C[SiH2]CC1C(CCC)=Cc2c(-c3ccc(C4CCCCC4)cc3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.35
S1PR5 Q9H228 1/20 0.35
PTGS2 P35354 1/20 0.34
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL7103975 0.94 S1PR1 (0.34) S1PR1S1PR5PTGS2
SCHEMBL7104715 0.92 SPHK1 (0.35) S1PR1S1PR5PTGS2
SCHEMBL7106836 0.91 S1PR1 (0.36) S1PR1S1PR5PTGS2
SCHEMBL7194351 0.85 S1PR1 (0.34) S1PR1S1PR5PTGS2CTSSCTSK
SCHEMBL27757698 0.83 S1PR1 (0.37) S1PR1S1PR5PTGS2CTSSCTSK
SCHEMBL7108907 0.83 CRHR1 (0.30)
Hydrochloric Acid SCHEMBL27463582 0.82 PTGS2 (0.38) S1PR1S1PR5PTGS2CTSSCTSK
SCHEMBL7108792 0.82 EDNRB (0.33)
SCHEMBL7037699 0.81 S1PR1 (0.40) S1PR1S1PR5PTGS2CTSSCTSK
SCHEMBL27586776 0.80 S1PR1 (0.35) S1PR1S1PR5PTGS2CTSSCTSK

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