SCHEMBL31746987

SCHEMBL31746987

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(CCCCC)cc3)cc2CC)ccc1OCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
THRB P10828 2/20 0.34
APAF1 O14727 2/20 0.34
PTPN11 Q06124 2/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAD52 P43351 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRA P10827 1/20 0.33
PPARD Q03181 1/20 0.33
RARB P10826 6/20 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
SCHEMBL17063594 1.00 CNR2 (0.35) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17063596 0.91 PPARD (0.32) CNR2CNR1HTTMAPTMAPK1
SCHEMBL22593496 0.89 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17063573 0.88 RARB (0.39) CNR2CNR1HTTMAPTMAPK1
SCHEMBL31746991 0.88 RARB (0.39) CNR2CNR1HTTMAPTMAPK1
SCHEMBL31746993 0.87 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070350 0.87 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL22540471 0.87 CNR2 (0.37) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070361 0.86 S1PR1 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18645614 0.86 S1PR1 (0.36) CNR2CNR1HTTMAPTMAPK1

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