SCHEMBL20448337

SCHEMBL20448337

CCCCCCCCCCCCCCCCO[Si](CC(C)C)(OCCCCCCCCCCCC)OCCCCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 5/20 0.38
LPAR2 Q9HBW0 4/20 0.38
DNM1 Q05193 1/20 0.36
THRB P10828 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
LPAR1 Q92633 2/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL8680466 1.00 LPAR3 (0.38) LPAR3LPAR2DNM1THRBTSHR
SCHEMBL2398601 0.91 ADRB2 (0.35) TSHR
SCHEMBL16496643 0.88 LMNA (0.35) LPAR3LPAR2DNM1LPAR1
SCHEMBL16497342 0.88 LMNA (0.35) LPAR3LPAR2DNM1LPAR1
SCHEMBL17686048 0.85 S1PR2 (0.38) DNM1HTTMAPTSPHK1
SCHEMBL375976 0.85 LPAR2 (0.33) LPAR3LPAR2
SCHEMBL11811652 0.83 LPAR3 (0.35) LPAR3LPAR2DNM1THRBTSHR
SCHEMBL2336204 0.83 LPAR3 (0.35) LPAR3LPAR2DNM1THRBTSHR
SCHEMBL11803478 0.83 LPAR3 (0.35) LPAR3LPAR2DNM1THRBTSHR
SCHEMBL5670314 0.82 LPAR3 (0.34) LPAR3LPAR2DNM1THRBTSHR

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-3356444-A1 ISOCYANATOALKYL ALKOXYSILANE ADDUCTS MODIFIED BY SILICONE RESINS AND THE USE THEREOF Evonik Degussa GmbH (DE) 2018-08-08 EP disclosed