SCHEMBL21336985

SCHEMBL21336985

C#CCC[C@@H](NC(=O)OC)C(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ASAH1 Q13510 1/20 0.36
ACER2 Q5QJU3 1/20 0.36
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
UGCG Q16739 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL21336970 1.00 AOC3 (0.42) AOC3KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL21336972 1.00 AOC3 (0.42) AOC3KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL14971379 1.00 AOC3 (0.42) AOC3KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL21336987 1.00 AOC3 (0.42) AOC3KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL21336975 1.00 AOC3 (0.42) AOC3KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL21336988 1.00 AOC3 (0.42) AOC3KMT2AMEN1CYP3A4ALDH1A1
SCHEMBL16119982 0.87 CTSK (0.49) MAPT
SCHEMBL14971377 0.87 CTSK (0.49) MAPT
SCHEMBL16202186 0.87 CTSK (0.49) MAPT
SCHEMBL16202189 0.87 CTSK (0.49) MAPT

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
EP-2780448-B1 BIOCATALYSTS FOR THE PREPARATION OF HYDROXY SUBSTITUTED CARBAMATES CODEXIS INC (US) 2019-09-11 EP disclosed