SCHEMBL8077349

SCHEMBL8077349

N#CCC(=O)NCC(CO)CO

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.52
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
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
SCHEMBL8072203 0.82 MCL1 (0.50) MCL1ALDH1A1CYP3A4KDM4EKMT2A
SCHEMBL24988613 0.80 MCL1 (0.48) MCL1ALDH1A1CYP3A4KDM4EKMT2A
SCHEMBL9442189 0.78 MCL1 (0.56) MCL1ALDH1A1CYP3A4KDM4EKMT2A
SCHEMBL8072184 0.77 MCL1 (0.52) MCL1ALDH1A1CYP3A4KDM4EKMT2A
SCHEMBL615361 0.77 MCL1 (0.59) MCL1ALDH1A1CYP3A4KDM4EKMT2A
SCHEMBL10428283 0.75 MCL1 (0.57) MCL1ALDH1A1CYP3A4KDM4EKMT2A
SCHEMBL6318324 0.73 MCL1 (0.51) MCL1ALDH1A1CYP3A4KMT2ACA2
SCHEMBL6217575 0.72 MCL1 (0.74) MCL1ALDH1A1CYP3A4KDM4EKMT2A
SCHEMBL1417499 0.72 MCL1 (0.48) MCL1ALDH1A1CYP3A4KDM4EKMT2A
SCHEMBL1898653 0.71

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