SCHEMBL6237225

SCHEMBL6237225

CC1CC(C)CC(C=NOCc2ccccc2)(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL4871791 1.00 HTR2C (0.39) HTR2CNPC1RAB9ALMNAPPARG
SCHEMBL4871801 1.00 HTR2C (0.39) HTR2CNPC1RAB9ALMNAPPARG
SCHEMBL6231915 0.90 ADAM17 (0.40) HTR2CNPC1RAB9ALMNANAMPT
SCHEMBL4869758 0.90 ADAM17 (0.40) HTR2CNPC1RAB9ALMNANAMPT
SCHEMBL4863343 0.86 ALDH1A1 (0.40) HTR2CNPC1RAB9ALMNAPPARG
SCHEMBL4863333 0.86 ALDH1A1 (0.40) HTR2CNPC1RAB9ALMNAPPARG
SCHEMBL4863329 0.86 ALDH1A1 (0.40) HTR2CNPC1RAB9ALMNAPPARG
SCHEMBL4866100 0.86 ALDH1A1 (0.40) HTR2CNPC1RAB9ALMNAPPARG
SCHEMBL4863361 0.81 LMNA (0.41) NPC1RAB9ALMNAPPARGPPARA
SCHEMBL4864213 0.80 CETP (0.38) HTR2CNPC1RAB9ALMNAPPARG

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-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 WO disclosed