SCHEMBL3207425

SCHEMBL3207425

CCOC(=O)C=CC#N.COCCCOC(=O)C=CC#N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 5/20 0.42
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
FDPS P14324 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL440642 0.93 ATM (0.47) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL540751 0.90 ATM (0.47) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL600328 0.84
SCHEMBL442803 0.84
SCHEMBL29446 0.84
SCHEMBL4895739 0.84 ALDH1A1 (0.39) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL4888147 0.83 ATM (0.48) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL487322 0.83 ATM (0.41) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL22072011 0.83 ATM (0.61) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL24797 0.81 ATM (0.70) ATMHCAR2MAPTNPSR1RAB9A

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-20100056646-A1 Hydroswellable, segmented, aliphatic polyurethane ureas and intra-articular devices therefrom POLY-MED, INC. 2010-03-04 US disclosed