SCHEMBL10112684

SCHEMBL10112684

NC(=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.42
CNR1 P21554 2/20 0.42
CHIT1 Q13231 1/20 0.40
CHIA Q9BZP6 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
BCL2A1 Q16548 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PHGDH O43175 1/20 0.36
WDR91 A4D1P6 1/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 1/20 0.35
NSD2 O96028 1/20 0.35
RAB9A P51151 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
SCHEMBL10112656 0.77 GAA (0.41) SMN1; SMN2GLAHSD17B10GAANSD2
SCHEMBL10112675 0.73 ALDH1A1 (0.42) ALDH1A1GAANSD2
SCHEMBL10112661 0.73 SLC6A2 (0.44)
SCHEMBL10112665 0.72 KDM2B (0.43) CNR1HRH3ALDH1A1GLAHSD17B10
SCHEMBL10112664 0.72 GLA (0.39) CNR1GLAHSD17B10GAANSD2
SCHEMBL10112672 0.71 GAA (0.38) WDR91GLAHSD17B10GAANSD2
SCHEMBL10122798 0.71 WDR91 (0.39) WDR91GAA
SCHEMBL31066507 0.70 BCL2A1 (0.51) SMN1; SMN2BCL2A1KDM4EALDH1A1PHGDH
SCHEMBL10112681 0.70 GAA (0.38) ALDH1A1GAA
SCHEMBL15797474 0.66 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1PHGDHNSD2RAB9A

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 3 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-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed