SCHEMBL8072031

SCHEMBL8072031

CCC(CO)(CO)NC(=O)CC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.48
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL8063164 0.88 MCL1 (0.48) MCL1ALDH1A1GAAHRH3HSD17B10
SCHEMBL8076234 0.85 MCL1 (0.47) MCL1ALDH1A1GAAHRH3HSD17B10
SCHEMBL8073075 0.82 MCL1 (0.44) MCL1ALDH1A1GAAHRH3HSD17B10
SCHEMBL8077548 0.81 HRH3 (0.44) MCL1ALDH1A1GAAHRH3KMT2A
SCHEMBL8077460 0.81 MCL1 (0.42) MCL1ALDH1A1GAAHRH3HSD17B10
SCHEMBL4233436 0.77 HRH3 (0.41) GAAHRH3KDM4EKMT2AMEN1
SCHEMBL1899348 0.76 MCL1 (0.50) MCL1ALDH1A1GAAHSD17B10KDM4E
SCHEMBL1904226 0.76 MCL1 (0.50) MCL1ALDH1A1GAAHSD17B10KDM4E
SCHEMBL1898376 0.73 MCL1 (0.56) MCL1ALDH1A1GAAHSD17B10KDM4E
SCHEMBL25763081 0.72 HRH3 (0.35) HRH3KDM4E

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
US-5929190-A POLYURETHANE HOMO- OR COPOLYMERS WITH TERMINAL OR BRANCH SITE 2-CYANOACETAMIDO MOIETIES ARE USEFUL FOR COATINGS AND IN INDUSTRIES EASTMAN KODAK COMPANY (US) 1999-07-27 US claimed
US-6037440-A INCREASED NETWORK DENSIT, COATINGS EASTMAN KODAK COMPANY (US) 2000-03-14 US disclosed
US-5929190-A POLYURETHANE HOMO- OR COPOLYMERS WITH TERMINAL OR BRANCH SITE 2-CYANOACETAMIDO MOIETIES ARE USEFUL FOR COATINGS AND IN INDUSTRIES EASTMAN KODAK COMPANY (US) 1999-07-27 US disclosed