SCHEMBL8071817

SCHEMBL8071817

CC(C)OC(=O)N[C@H](C(=O)N[C@H](C)c1nc2c(Cl)cccc2s1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ACP1 P24666 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSMB8 P28062 1/20 0.36

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
SCHEMBL8060776 0.83 TSHR (0.46) ALDH1A1HPGD
SCHEMBL8060795 0.83 TSHR (0.46) ALDH1A1HPGD
SCHEMBL11887309 0.78
SCHEMBL8071747 0.77 LCK (0.43) GAAACP1KMT2AMEN1ALDH1A1
Benthiavalicarb-Isopropyl SCHEMBL29445765 0.75
Benthiavalicarb-Isopropyl SCHEMBL14301163 0.75
Benthiavalicarb-Isopropyl SCHEMBL122266 0.75
Benthiavalicarb-Isopropyl SCHEMBL19186454 0.75
Benthiavalicarb-Isopropyl SCHEMBL14452765 0.75
Benthiavalicarb-Isopropyl SCHEMBL1395933 0.75

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
EP-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed