SCHEMBL7546488

SCHEMBL7546488

CC(C)(C)OC(=O)N(c1ccc(C=O)cc1)c1ccc(C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.46
CYP2A13 Q16696 1/20 0.46
MT-CO2 P00403 1/20 0.44
ALDH1A1 P00352 5/20 0.43
ALDH1A3 P47895 2/20 0.43
ALDH3A1 P30838 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
MIF P14174 1/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
PARP10 Q53GL7 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34

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
SCHEMBL19533488 0.94 ATM (0.44) CYP2A6CYP2A13MT-CO2ALDH1A1ALDH1A3
SCHEMBL3261042 0.85 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL4838461 0.82 ALDH1A1 (0.47) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL21401590 0.80 MT-CO2 (0.47) MT-CO2ALDH1A1RAB9A
SCHEMBL922803 0.79 MT-CO2 (0.46) MT-CO2ALDH1A1NPC1RAB9AMAPT
SCHEMBL19998347 0.79 MT-CO2 (0.46) MT-CO2ALDH1A1NPC1RAB9AMAPT
SCHEMBL13148722 0.79 MT-CO2 (0.46) MT-CO2ALDH1A1NPC1RAB9AMAPT
SCHEMBL19998349 0.79 MT-CO2 (0.46) MT-CO2ALDH1A1NPC1RAB9AMAPT
SCHEMBL7927992 0.79 MT-CO2 (0.46) MT-CO2ALDH1A1NPC1RAB9AMAPT
SCHEMBL1781292 0.79 NPC1 (0.46) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1

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-2002053155-A1 TELOMERASE INHIBITOR GERON CORPORATION (US) 2002-07-11 WO disclosed