SCHEMBL31746993

SCHEMBL31746993

CCCCCc1ccc(-c2ccc(-c3ccc(OCCO[Si](C)(C)C(C)(C)C)c(CCO)c3)c(CC)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
APAF1 O14727 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RARB P10826 8/20 0.35
RARA P10276 3/20 0.35
RARG P13631 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL17070350 1.00 CNR2 (0.36) CNR2CNR1MAPK1HTTMAPT
SCHEMBL17063587 0.90 RARB (0.34) CNR2CNR1MAPK1HTTMAPT
SCHEMBL21984704 0.89 RARB (0.40) CNR2CNR1MAPK1HTTMAPT
SCHEMBL17063610 0.88 PTPN11 (0.38) CNR2CNR1MAPK1HTTMAPT
SCHEMBL17082413 0.88 CNR2 (0.35) CNR2CNR1MAPK1HTTMAPT
SCHEMBL31746987 0.87 CNR2 (0.35) CNR2CNR1MAPK1HTTMAPT
SCHEMBL17063594 0.87 CNR2 (0.35) CNR2CNR1MAPK1HTTMAPT
SCHEMBL17063601 0.82 RARB (0.35) MAPK1MAPTPTPN11RARBRARA
SCHEMBL29733618 0.82 RARB (0.35) MAPK1MAPTPTPN11RARBRARA
SCHEMBL17082406 0.82 S1PR1 (0.34) CNR2CNR1MAPK1HTTMAPT

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-3730590-B1 LIQUID CRYSTAL MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2025-12-24 EP disclosed