SCHEMBL8400798

SCHEMBL8400798

COc1ccc(C(OC)C(=O)NC(C)(C#N)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 3/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
ACACB O00763 1/20 0.37
CTSL P07711 3/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KLK7 P49862 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
PAX8 Q06710 1/20 0.35
ALOX5 P09917 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
SCHEMBL1533326 0.74 NPSR1 (0.44) NPSR1ALDH1A1GAAKMT2ARAB9A
Hydrochloric Acid SCHEMBL1533369 0.72 CA1 (0.50) NPSR1ALDH1A1GAAKMT2ARAB9A
SCHEMBL7215950 0.71 UTS2R (0.41) NPSR1ALDH1A1LMNA
SCHEMBL1533409 0.71 RAB9A (0.49) NPSR1KMT2ARAB9AMEN1ACACB
SCHEMBL17309222 0.71 RAB9A (0.49) NPSR1KMT2ARAB9AMEN1ACACB
SCHEMBL17309221 0.71 RAB9A (0.49) NPSR1KMT2ARAB9AMEN1ACACB
SCHEMBL17295989 0.69 LDHA (0.52) NPSR1ALDH1A1KMT2ARAB9AMEN1
SCHEMBL3829660 0.69 LDHA (0.52) NPSR1ALDH1A1KMT2ARAB9AMEN1
SCHEMBL17295985 0.69 LDHA (0.52) NPSR1ALDH1A1KMT2ARAB9AMEN1
SCHEMBL29716674 0.69 CES2 (0.47) NPSR1KMT2ARAB9AMEN1MAPT

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
JP-11158131-A None JP disclosed
JP-H11158131-A ARYLACETAMIDE DERIVATIVE AND ANTIMICROBIAL AGENT FOR AGRICULTURE AND HORTICULTURE KUMIAI CHEM IND CO LTD 1999-06-15 JP disclosed