SCHEMBL7759685

SCHEMBL7759685

Cc1cc2ccc(=O)oc2cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MCL1 Q07820 6/20 0.53
CA9 Q16790 10/20 0.52
CA12 O43570 8/20 0.52
KDM4E B2RXH2 6/20 0.52
HSD17B10 Q99714 6/20 0.52
AKR1B1 P15121 5/20 0.52
GAA P10253 5/20 0.52
HPGD P15428 5/20 0.52
GLA P06280 4/20 0.52
ACHE P22303 3/20 0.52
CASP1 P29466 3/20 0.52
CASP7 P55210 3/20 0.52
ERAP1 Q9NZ08 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 2/20 0.52
HIF1A Q16665 2/20 0.52
LMNA P02545 1/20 0.52
BCHE P06276 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL8036025 0.84 ALDH1A1 (0.62) ALDH1A1MCL1CA9CA12KDM4E
SCHEMBL16722817 0.78 ALDH1A1 (0.55) ALDH1A1MCL1CA9CA12KDM4E
SCHEMBL4545214 0.78 CA9 (0.72) ALDH1A1MCL1CA9CA12KDM4E
SCHEMBL8750119 0.76 ALDH1A1 (0.53) ALDH1A1MCL1CA9CA12KDM4E
SCHEMBL15843028 0.75 GAA (0.58) ALDH1A1MCL1CA9CA12KDM4E
SCHEMBL28749263 0.75 MCL1 (0.74) ALDH1A1MCL1CA9CA12KDM4E
SCHEMBL9638284 0.74 CA9 (0.72) ALDH1A1MCL1CA9CA12KDM4E
SCHEMBL27678755 0.74 CA9 (0.72) ALDH1A1MCL1CA9CA12KDM4E
SCHEMBL16722819 0.74 ALDH1A1 (0.55) ALDH1A1MCL1CA9CA12KDM4E
SCHEMBL10205466 0.74 ALDH1A1 (0.50) ALDH1A1MCL1CA9CA12KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119173639-A Multiplex fluorescent cell and tissue imaging with DNA-encoded thermal channels and uses thereof 哈佛大学校长及研究员协会 2024-12-20 CN disclosed
EP-1084240-A1 POLYPEPTIDES WITH BETA-SECRETASE TYPE ACTIVITY Aventis Pharma S.A. (FR) 2001-03-21 EP disclosed
WO-1999064587-A1 POLYPEPTIDES WITH BETA-SECRETASE TYPE ACTIVITY AVENTIS PHARMA S.A. (FR) 1999-12-16 WO disclosed
EP-0800528-A1 PEPTIDE AND PEPTIDE ANALOG PROTEASE INHIBITORS Sibia Neurosciences, Inc. (US) 1997-10-15 EP disclosed
WO-1996020725-A2 PEPTIDE, PEPTIDE ANALOG AND AMINO ACID ANALOG PROTEASE INHIBITORS SIBIA NEUROSCIENCES, INC. (US) 1996-07-11 WO disclosed
WO-1996020949-A1 PEPTIDE AND PEPTIDE ANALOG PROTEASE INHIBITORS SIBIA NEUROSCIENCES, INC. (US) 1996-07-11 WO disclosed