SCHEMBL4942407

SCHEMBL4942407

COC(=O)c1ccc(C#C[Se]c2cc(OCc3ccc4ccccc4c3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP26A1 O43174 2/20 0.38
POLB P06746 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
ALOX5 P09917 6/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL4948642 0.92 RARB (0.41) CYP3A4CYP26A1MRGPRX4SMN1; SMN2
SCHEMBL4946321 0.89 MAPT (0.40) CYP3A4MAPTRAB9ALMNAL3MBTL1
SCHEMBL4944815 0.89 MAPT (0.41) CYP3A4MAPTRAB9ALMNAL3MBTL1
SCHEMBL4945312 0.89 MRGPRX4 (0.43) CYP3A4MAPTRAB9ALMNAL3MBTL1
SCHEMBL4946956 0.88 MAPT (0.41) CYP3A4MAPTRAB9ALMNAL3MBTL1
SCHEMBL4945300 0.88 CYP3A4 (0.41) CYP3A4MAPTRAB9ALMNAL3MBTL1
SCHEMBL4946310 0.88 RAB9A (0.44) CYP3A4MAPTRAB9ALMNAL3MBTL1
SCHEMBL4946301 0.88 CYP3A4 (0.39) CYP3A4MAPTRAB9ALMNAL3MBTL1
SCHEMBL5043943 0.87 CYP3A4 (0.38) CYP3A4MAPTRAB9ALMNAL3MBTL1
SCHEMBL4948201 0.87 CYP3A4 (0.39) CYP3A4MAPTRAB9ALMNAL3MBTL1

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-1513803-B1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RES & DEV (FR) 2008-06-18 EP disclosed