SCHEMBL8771888

SCHEMBL8771888

CC(C)OC(=O)N(C(C)CS(=O)(=O)c1ccc(F)cc1)[C@H](C(N)=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 2/20 0.35
PAX8 Q06710 1/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP13 P45452 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
ADAMTS4 O75173 1/20 0.34
LGMN Q99538 1/20 0.33
PHGDH O43175 1/20 0.33
MMP14 P50281 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL8771869 0.79 MAPT (0.34) ALDH1A1MAPT
SCHEMBL8771892 0.78 MAPT (0.33) ALDH1A1KMT2ANPC1GAARAB9A
SCHEMBL8896743 0.67 ALOX5 (0.41) ALDH1A1KDM4EMAPT
SCHEMBL8771884 0.67 POLB (0.37) ALDH1A1KMT2AKDM4ENPC1GLA
SCHEMBL8896175 0.66 ALOX5 (0.40) GAA
SCHEMBL8771912 0.66 KDM4E (0.42) ALDH1A1KMT2AMMP2MMP9MMP1
SCHEMBL15320092 0.65 KMT2A (0.46) ALDH1A1KMT2APAX8MMP2MMP9
SCHEMBL4010614 0.65 CA1 (0.49) ALDH1A1KMT2APAX8MMP2MMP9
SCHEMBL8771835 0.65 SCN9A (0.34) KMT2AMMP1KDM4EGAAMAPT
SCHEMBL8771893 0.64 MMP1 (0.40) KMT2AMMP2MMP9MMP1MMP3

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