SCHEMBL10112656

SCHEMBL10112656

CC(C)N1CCC[C@H]1[C@@H](C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
NSD2 O96028 1/20 0.40
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 2/20 0.38
CCR1 P32246 1/20 0.38
SLC6A9 P48067 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
SCHEMBL10112675 0.80 ALDH1A1 (0.42) GAANSD2SLC6A2SLC6A4SLC6A3
SCHEMBL10112661 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL10112684 0.77 CNR2 (0.42) GAASMN1; SMN2NSD2GLAHSD17B10
SCHEMBL10112665 0.76 KDM2B (0.43) GAANSD2GLAHSD17B10
SCHEMBL10112681 0.76 GAA (0.38) GAASLC6A2SLC6A4SLC6A3SLC6A9
SCHEMBL10112664 0.75 GLA (0.39) GAATSHRNSD2DPP7GLA
SCHEMBL10122798 0.74 WDR91 (0.39) GAA
SCHEMBL10112672 0.74 GAA (0.38) GAANSD2DPP4DPP7GLA
SCHEMBL31575348 0.74 CHRNB2 (0.43) GAAHPGDSMN1; SMN2DPP4DPP7
SCHEMBL31575359 0.74 CHRNB2 (0.43) GAAHPGDSMN1; SMN2DPP4DPP7

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