SCHEMBL17366266

SCHEMBL17366266

CCC(C)Oc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MCHR1 Q99705 1/20 0.45
LMNA P02545 3/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.42
DHODH Q02127 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.39
MAPT P10636 1/20 0.39
FFAR1 O14842 1/20 0.37
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL31490284 0.85 MCHR1 (0.51) ALDH1A1MCHR1LMNAMAPT
SCHEMBL17366254 0.85 MCHR1 (0.48) ALDH1A1GAAL3MBTL1MCHR1LMNA
SCHEMBL20269984 0.82 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1MCHR1LMNA
SCHEMBL8596342 0.82 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1LMNAPPARG
SCHEMBL9060740 0.80 L3MBTL1 (0.44) ALDH1A1GAAL3MBTL1MCHR1LMNA
SCHEMBL9060171 0.80 L3MBTL1 (0.44) ALDH1A1GAAL3MBTL1MCHR1LMNA
SCHEMBL104729 0.79 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1LMNAPPARG
SCHEMBL17070600 0.79 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1LMNAPPARG
SCHEMBL27290749 0.78 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1LMNAPPARG
SCHEMBL28470780 0.78 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1LMNAPPARG

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
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed