SCHEMBL2738680

SCHEMBL2738680

NC(=O)[C@H](CNC1CCOCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.43
EPHX2 P34913 4/20 0.41
CTSL P07711 6/20 0.40
CTSK P43235 5/20 0.40
EPHX1 P07099 2/20 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
SCHEMBL684458 0.89 CTSS (0.43) CTSSEPHX2CTSLCTSKEPHX1
SCHEMBL681452 0.87 CTSS (0.43) CTSSEPHX2CTSLCTSK
SCHEMBL2739250 0.85 TRPV1 (0.41) CTSSEPHX2
SCHEMBL681766 0.84 CTSS (0.41) CTSSEPHX2CTSLCTSK
SCHEMBL2738631 0.84 EPHX2 (0.44) EPHX2
SCHEMBL2738500 0.81 FPR2 (0.40)
SCHEMBL2738590 0.81 AKT3 (0.48)
SCHEMBL12323872 0.81 AKT3 (0.48)
SCHEMBL12294178 0.81 AKT1 (0.38) EPHX1
SCHEMBL2738502 0.79 ALDH1A1 (0.47) CTSSEPHX2EPHX1

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-2012087336-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
EP-2402325-A2 Hydroxylated and methoxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors Array Biopharma, Inc. (US) 2012-01-04 EP disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed