SCHEMBL29244282

SCHEMBL29244282

NC(=O)OCCc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR1 P21554 1/20 0.46
HTT P42858 2/20 0.45
EPHX1 P07099 1/20 0.44
TP53 P04637 1/20 0.44
COPS5 Q92905 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PDPK1 O15530 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NR4A2 P43354 1/20 0.43

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
SCHEMBL28753563 0.85 SERPINE1 (0.40) IDO1L3MBTL1
SCHEMBL27611364 0.84 L3MBTL1 (0.45) L3MBTL1HTTTP53ALDH1A1HPGD
SCHEMBL27949329 0.83 HPGD (0.50) IDO1L3MBTL1CNR1HTTALDH1A1
SCHEMBL116267 0.83 IDO1 (0.59) IDO1L3MBTL1TDP1HTTALDH1A1
SCHEMBL28354368 0.80 ALDH1A1 (0.48) IDO1ALDH1A1GAAHPGD
SCHEMBL1821613 0.79 TAAR1 (0.50) IDO1CNR1HTT
SCHEMBL31346720 0.77 PDPK1 (0.54) IDO1CNR1HTTEPHX1COPS5
SCHEMBL2849945 0.77 PDPK1 (0.54) IDO1CNR1HTTEPHX1COPS5
SCHEMBL29223611 0.76 L3MBTL1 (0.52) IDO1L3MBTL1TDP1HTTTP53
SCHEMBL15650450 0.75 LMNA (0.53) IDO1L3MBTL1CNR1HTTALDH1A1

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-118290334-A Preparation method of Lifeiste key intermediate 上海医药工业研究院有限公司 2024-07-05 CN disclosed