SCHEMBL8771912

SCHEMBL8771912

CC(C)OC(=O)N(C(C)COCc1ccc(Cl)cc1)[C@H](C(N)=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAOB P27338 3/20 0.40
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MMP2 P08253 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
HTR2A P28223 1/20 0.36
RAB9A P51151 2/20 0.36
USP2 O75604 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
SCHEMBL8771884 0.78 POLB (0.37) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL8771835 0.78 SCN9A (0.34) KDM4EMMP1MAPTKMT2AGAA
SCHEMBL8771892 0.69 MAPT (0.33) HPGDSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL8896867 0.67 ALOX5 (0.58) KDM4EMAOBSMN1; SMN2MMP2ALDH1A1
SCHEMBL8771888 0.66 ALDH1A1 (0.36) KDM4EMMP2MMP1MMP3MMP9
SCHEMBL8771869 0.65 MAPT (0.34) ALDH1A1MAPT
SCHEMBL10973793 0.65 HTT (0.57) KDM4EHTTHPGDSMN1; SMN2MMP2
SCHEMBL18580919 0.65 SLC6A2 (0.57) MAOBHTTHPGDSMN1; SMN2MMP2
SCHEMBL8607141 0.65 SLC6A2 (0.57) MAOBHTTHPGDSMN1; SMN2MMP2
SCHEMBL12153202 0.65 HTT (0.53) MAOBHTTHPGDSMN1; SMN2MMP2

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