SCHEMBL7110903

SCHEMBL7110903

C=C(C(=O)OC(C)(C)C)c1ccccc1CC#N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.37
CTSK P43235 10/20 0.37
NR1H2 P55055 1/20 0.37
CTSL P07711 5/20 0.36
CTSB P07858 4/20 0.36
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL26646427 0.84 GABRA1 (0.37) KCNA5ALDH1A1KMT2A
SCHEMBL28289842 0.82 L3MBTL1 (0.40) KCNA5ALDH1A1HPGDKMT2A
SCHEMBL28291342 0.81 KCNA5 (0.34) KCNA5ALDH1A1KMT2A
SCHEMBL27893627 0.81 KCNA5 (0.34) NR1H2KCNA5ALDH1A1KMT2AKDM4E
SCHEMBL27846255 0.78 LMNA (0.40) ALDH1A1KDM4E
SCHEMBL7593886 0.74 GPR119 (0.45) CTSSCTSKNR1H2CTSLCTSB
SCHEMBL5934008 0.74 LMNA (0.46) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL28079344 0.74 HPGD (0.39) HPGDKMT2A
SCHEMBL28757976 0.73 CES2 (0.46) ALDH1A1HPGDKMT2A
SCHEMBL27966648 0.73 PTPN2 (0.40) ALDH1A1KMT2AHSD17B10

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
WO-2004002947-A1 PHENOXYPROPENYLPHENYL DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed