SCHEMBL8073075

SCHEMBL8073075

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.44
ALDH1A1 P00352 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8077548 0.95 HRH3 (0.44) MCL1ALDH1A1HRH3GAASMN1; SMN2
SCHEMBL8076234 0.90 MCL1 (0.47) MCL1ALDH1A1HRH3GAAKDM4E
SCHEMBL8072031 0.82 MCL1 (0.48) MCL1ALDH1A1HRH3GAAKDM4E
SCHEMBL8063164 0.82 MCL1 (0.48) MCL1ALDH1A1HRH3GAAKDM4E
SCHEMBL12328988 0.77 HRH3 (0.45) ALDH1A1HRH3TSHRMEN1KMT2A
SCHEMBL8077460 0.75 MCL1 (0.42) MCL1ALDH1A1HRH3GAAKDM4E
SCHEMBL8498722 0.72 HRH3 (0.69) ALDH1A1HRH3MEN1KMT2A
SCHEMBL8499436 0.72 HRH3 (0.69) ALDH1A1HRH3MEN1KMT2A
SCHEMBL8496596 0.72 HRH3 (0.64) ALDH1A1HRH3MEN1MAPTKMT2A
SCHEMBL1899348 0.71 MCL1 (0.50) MCL1ALDH1A1GAASMN1; SMN2KDM4E

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