SCHEMBL8940652

SCHEMBL8940652

CCOc1ccc(O)c(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
APP P05067 6/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NQO1 P15559 1/20 0.42
PDK2 Q15119 2/20 0.41
LTA4H P09960 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNH2 Q12809 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
FADS1 O60427 1/20 0.39

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
SCHEMBL8940653 0.87 ALDH1A1 (0.49) L3MBTL1APPKDM4EALDH1A1MAPT
SCHEMBL25797846 0.83 APP (0.46) APPPDK2
SCHEMBL25797920 0.83 APP (0.46) APPPDK2
SCHEMBL25797612 0.83 NR5A1 (0.51) PDK2LTA4HTSHR
SCHEMBL2097133 0.82 APP (0.49) L3MBTL1APPMAPTMEN1KMT2A
SCHEMBL8386278 0.82 ALDH1A1 (0.58) L3MBTL1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL7687597 0.81 ALDH1A1 (0.47) APPKDM4EALDH1A1MAPTMEN1
SCHEMBL29956388 0.81 L3MBTL1 (0.44) L3MBTL1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6495895 0.79 BCHE (0.54) KDM4EALDH1A1MAPTHSD17B10NQO1
SCHEMBL25797659 0.78 PDK2 (0.46) APPPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 EP disclosed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 WO disclosed