SCHEMBL14626313

SCHEMBL14626313

B[C@H]1CC[C@@H](CN2C(=O)c3ccccc3C2=O)O1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 2/20 0.45
MIF P14174 1/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 2/20 0.40
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL2697740 0.79 CYP1A2 (0.55) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL25690608 0.77 CYP1A2 (0.84) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL499818 0.77 CYP1A2 (0.84) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL28562135 0.77 CYP1A2 (0.84) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL31258922 0.77 CYP1A2 (0.84) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL2696608 0.77 SLC6A2 (0.56) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL78821 0.76 CYP2C9 (0.68) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL38819 0.76 CYP2C9 (0.68) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL29570568 0.76 CYP2C9 (0.68) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL29567211 0.76 CYP2C9 (0.68) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E

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-7164014-B2 Protected linker compounds LINDEN TECHNOLOGIES, INC. (US) 2007-01-16 US disclosed