SCHEMBL30522142

SCHEMBL30522142

CCC(O)(c1ccc(C#N)cc1)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
AOC3 Q16853 1/20 0.43
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
VNN1 O95497 1/20 0.40
KIF11 P52732 1/20 0.40
APP P05067 1/20 0.40
CYP19A1 P11511 2/20 0.39
CYP2A6 P11509 1/20 0.39
SNCA P37840 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 1/20 0.38

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
Alcohol SCHEMBL29044345 0.97 MAOA (0.46) MAOAMAOBAOC3MAPTLMNA
SCHEMBL6935441 0.86 LMNA (0.49) AOC3MAPTLMNAHTTNPSR1
Alcohol SCHEMBL29044344 0.85 MAOA (0.43) MAOAMAOBAOC3MAPTLMNA
SCHEMBL30522132 0.84 MAOA (0.46) MAOAMAOBAOC3MAPTLMNA
Alcohol SCHEMBL29044341 0.83 MAOA (0.47) MAOAMAOBAOC3MAPTLMNA
SCHEMBL29044338 0.82 MAOA (0.43) MAOAMAOBAOC3MAPTLMNA
SCHEMBL30522141 0.81 MAOA (0.47) MAOAMAOBAOC3MAPTLMNA
SCHEMBL11622599 0.81 KIF11 (0.47) MAOAMAOBKIF11CYP19A1CYP2A6
SCHEMBL28076975 0.80 KIF11 (0.54) LMNAHTTNPSR1KIF11
SCHEMBL28076974 0.80 KIF11 (0.54) LMNAHTTNPSR1KIF11

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
CN-114921801-B Method for directly hydroxyaryl benzylic carbon through paired electrochemical series reaction 西南大学 2023-08-04 CN disclosed