SCHEMBL9288796

SCHEMBL9288796

CCCCCC(=O)CC(C#N)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
DGKA P23743 1/20 0.37
FAAH O00519 2/20 0.36
CES2 O00748 4/20 0.35
CES1 P23141 4/20 0.35
LMNA P02545 3/20 0.35
HAO1 Q9UJM8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AKR1B1 P15121 1/20 0.34
PAM P19021 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34

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
SCHEMBL1441850 0.81 ALDH1A1 (0.37) MAPTKMT2ALMNAALDH1A1KDM4E
SCHEMBL1325862 0.80 ZDHHC7 (0.41) MAPTKMT2AFAAHLMNAALDH1A1
SCHEMBL21646318 0.78 ZDHHC7 (0.43) MAPTFAAHLMNA
SCHEMBL28288321 0.78 ZDHHC7 (0.43) MAPTFAAHLMNA
SCHEMBL29374123 0.78 ZDHHC7 (0.43) MAPTFAAHLMNA
SCHEMBL17079750 0.78 ZDHHC7 (0.43) MAPTFAAHLMNA
SCHEMBL9562158 0.78 CA2 (0.40) KMT2ALMNAALDH1A1
SCHEMBL4611750 0.76 MAPT (0.43) MAPTKMT2ADGKAFAAHCES2
SCHEMBL537543 0.75 GAA (0.43) KMT2ALMNAALDH1A1
SCHEMBL1752394 0.75 ALDH1A1 (0.38) MAPTKMT2ALMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5447942-A Treatment of bronchoconstriction SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1995-09-05 US disclosed