SCHEMBL8077548

SCHEMBL8077548

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
MCL1 Q07820 3/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.32
NAAA Q02083 1/20 0.31
HSP90AA1 P07900 1/20 0.31
TSHR P16473 1/20 0.31
FAAH O00519 1/20 0.30
GGPS1 O95749 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
SCHEMBL8073075 0.95 MCL1 (0.44) HRH3MCL1ALDH1A1GAASMN1; SMN2
SCHEMBL8076234 0.88 MCL1 (0.47) HRH3MCL1ALDH1A1GAAMEN1
SCHEMBL8072031 0.81 MCL1 (0.48) HRH3MCL1ALDH1A1GAAMEN1
SCHEMBL8063164 0.80 MCL1 (0.48) HRH3MCL1ALDH1A1GAAKMT2A
SCHEMBL8499436 0.78 HRH3 (0.69) HRH3ALDH1A1MEN1KMT2ACES2
SCHEMBL8498722 0.78 HRH3 (0.69) HRH3ALDH1A1MEN1KMT2ACES2
SCHEMBL8496596 0.78 HRH3 (0.64) HRH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL15804679 0.75 HRH3 (0.49) HRH3ALDH1A1MEN1MAPTKMT2A
SCHEMBL8077460 0.74 MCL1 (0.42) HRH3MCL1ALDH1A1GAAMEN1
SCHEMBL14733163 0.74 MEN1 (0.51) HRH3MEN1MAPTKMT2AATM

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