SCHEMBL8196152

SCHEMBL8196152

CCCCOC(=O)NC(=N)OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
ACHE P22303 14/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP1 P29466 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6866097 0.84 EPHX1 (0.52) EPHX1ACHEALDH1A1RAB9AMAPT
SCHEMBL590532 0.83 EPHX1 (0.59) EPHX1ACHEALDH1A1RAB9AMAPT
SCHEMBL7447192 0.82 EPHX1 (0.53) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL1126445 0.81 ACHE (0.52) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL11640899 0.79 GAA (0.42) ALDH1A1KDM4EHPGDCYP1A2CYP2C19
SCHEMBL9197261 0.79 EPHX1 (0.55) EPHX1ACHEALDH1A1RAB9AMAPT
SCHEMBL7455335 0.78 EPHX1 (0.46) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL11627977 0.78 ALDH1A1 (0.58) EPHX1ACHEALDH1A1RAB9AHPGD
SCHEMBL9395279 0.78 EPHX1 (0.53) EPHX1ACHEALDH1A1NPC1RAB9A
SCHEMBL28436498 0.78 EPHX1 (0.53) EPHX1ACHEALDH1A1NPC1RAB9A

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
US-6040289-A ACTIVE DRUG TREATING OBESITY DR. KARL THOMAE GMBH (DE) 2000-03-21 US disclosed