SCHEMBL13667239

SCHEMBL13667239

CC(=O)OCCc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
MAOA P21397 3/20 0.49
TAAR1 Q96RJ0 3/20 0.49
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
AOC3 Q16853 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL145335 0.84 MAOB (0.45) MAOBMAOATAAR1ALDH1A1KMT2A
SCHEMBL29716427 0.84 MAOB (0.45) MAOBMAOATAAR1ALDH1A1KMT2A
SCHEMBL16244351 0.83 HTR3E (0.54) TAAR1ALDH1A1KMT2AMEN1HPGD
SCHEMBL2659547 0.83 ALDH1A1 (0.61) MAOBMAOAALDH1A1HPGDHCAR2
SCHEMBL27450326 0.82 TNKS2 (0.43) CNR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1992145 0.81 CYP4F2 (0.53) ALDH1A1HCAR2
SCHEMBL13034103 0.81 ALOX5 (0.53) MAOBTAAR1CNR1ALDH1A1
SCHEMBL1560391 0.81 CYP4F2 (0.53) ALDH1A1HCAR2
SCHEMBL27608519 0.81 TYR (0.61) TAAR1ALDH1A1
SCHEMBL27637243 0.81 ALDH1A1 (0.46) ALDH1A1HCAR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015706-A Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN LA ROCHE 2011-04-13 CN disclosed
WO-2009132087-A1 THIOPHENE DERIVATIVES USEFUL AS OCULAR HYPOTENSIVE AGENTS ALLERGAN, INC. (US) 2009-10-29 WO disclosed
CN-1151140-C Glucokinase activators - 2004-05-26 CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN disclosed