SCHEMBL10533050

SCHEMBL10533050

CCCCOc1ccc(/N=C\c2ccccc2OCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ CYP2C9 P11712 3/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAOB P27338 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LTA4H P09960 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL11312625 0.85 CYP3A4 (0.47) GAALMNAALDH1A1L3MBTL1CYP2C9
SCHEMBL11803784 0.84 ALDH1A1 (0.53) GAALMNAALDH1A1L3MBTL1TDP1
SCHEMBL11803780 0.84 ALDH1A1 (0.53) GAALMNAALDH1A1L3MBTL1TDP1
SCHEMBL11869399 0.83 CYP3A4 (0.49) LMNAALDH1A1L3MBTL1CYP2C9CYP2D6
SCHEMBL1879712 0.82 GAA (0.53) GAALMNAALDH1A1CYP1A2CYP2C19
SCHEMBL13786667 0.81 ALDH1A1 (0.48) GAALMNAALDH1A1L3MBTL1CYP1A2
SCHEMBL11564421 0.81 KDM4E (0.46) GAAALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL11796254 0.80 CYP3A4 (0.47) GAALMNAALDH1A1L3MBTL1CYP1A2
SCHEMBL14221547 0.79 GAA (0.47) GAALMNAALDH1A1L3MBTL1CYP1A2
SCHEMBL14035606 0.78 GAA (0.46) GAALMNAALDH1A1L3MBTL1CYP1A2

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
WO-1989002093-A1 LIQUID CRYSTAL MICELLES, DISPLAY, HAVING CONCENTRIC SPHERES MOLECULAR CONTROL CORPORATION (US) 1989-03-09 — — WO disclosed
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