SCHEMBL8771843

SCHEMBL8771843

CC(COc1ccc(Cl)cn1)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
MMP1 P03956 1/20 0.41
ACACB O00763 9/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA5 P31644 1/20 0.38
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 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
SCHEMBL8771828 0.85 CCR1 (0.45) TRPA1MMP1ACACBCNR1CNR2
SCHEMBL9228363 0.83 MMP1 (0.40) TRPA1MMP1ACACBMEN1KMT2A
Hydrochloric Acid SCHEMBL8771984 0.79 MEN1 (0.41) TRPA1MMP1ACACBMEN1KMT2A
SCHEMBL8771916 0.77 LMNA (0.43) KMT2AMAPK1LMNA
SCHEMBL8771891 0.74 LMNA (0.41) MEN1KMT2AMAPK1LMNA
Hydrochloric Acid SCHEMBL8771979 0.74 MMP1 (0.41) TRPA1MMP1ACACBMEN1KMT2A
SCHEMBL8771862 0.73 ACACB (0.36) ACACB
SCHEMBL7563131 0.72 PRCP (0.46) TRPA1MEN1KMT2AMAPK1LMNA
SCHEMBL9225370 0.72 LIPE (0.40) TRPA1MMP1MEN1KMT2ALMNA
SCHEMBL8771962 0.71 MAPT (0.49) ACACBMEN1KMT2AMAPK1

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed