SCHEMBL10112665

SCHEMBL10112665

NC(=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1CC1CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.43
GAA P10253 1/20 0.40
CNR1 P21554 1/20 0.38
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NSD2 O96028 1/20 0.37

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
SCHEMBL10112675 0.86 ALDH1A1 (0.42) KDM2BGAAALDH1A1NSD2
SCHEMBL10112664 0.84 GLA (0.39) GAACNR1GLAHSD17B10TP53
SCHEMBL10122798 0.82 WDR91 (0.39) GAA
SCHEMBL10112672 0.82 GAA (0.38) GAAGLAHSD17B10NSD2
SCHEMBL10112681 0.81 GAA (0.38) GAAALDH1A1
SCHEMBL10112656 0.76 GAA (0.41) GAAGLAHSD17B10NSD2
SCHEMBL10112661 0.75 SLC6A2 (0.44)
SCHEMBL10112684 0.72 CNR2 (0.42) GAACNR1GLAHSD17B10ALDH1A1
SCHEMBL31575348 0.67 CHRNB2 (0.43) GAAGLAHSD17B10
SCHEMBL31575359 0.67 CHRNB2 (0.43) GAAGLAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012135749-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
WO-2012087336-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed