SCHEMBL8076403

SCHEMBL8076403

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.45
ALDH1A1 P00352 4/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
ACACB O00763 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
SCHEMBL1899348 0.75 MCL1 (0.50) MCL1ALDH1A1GAAKMT2AKDM4E
SCHEMBL1904226 0.75 MCL1 (0.50) MCL1ALDH1A1GAAKMT2AKDM4E
SCHEMBL8063164 0.74 MCL1 (0.48) MCL1ALDH1A1GAAKMT2AKDM4E
SCHEMBL8072031 0.72 MCL1 (0.48) MCL1ALDH1A1GAAKMT2AKDM4E
SCHEMBL1898376 0.71 MCL1 (0.56) MCL1ALDH1A1GAAKMT2AKDM4E
SCHEMBL11218042 0.71 CYP2D6 (0.36) PIK3CDKDM4ECYP2C19
SCHEMBL8076234 0.69 MCL1 (0.47) MCL1ALDH1A1GAAKMT2AKDM4E
SCHEMBL1896933 0.67
SCHEMBL28054689 0.67 MCL1 (0.50) MCL1ALDH1A1GAAKMT2AKDM4E
SCHEMBL16590586 0.67 MCL1 (0.50) MCL1ALDH1A1GAACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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