SCHEMBL9809658

SCHEMBL9809658

COc1cc2c(cc1OC)C(=O)N(CCCOS(C)(=O)=O)CO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 5/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTR1A P08908 2/20 0.32
DRD3 P35462 2/20 0.32
DRD4 P21917 1/20 0.32
CHRM2 P08172 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
HCN4 Q9Y3Q4 1/20 0.31

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
SCHEMBL9304172 0.97 KDM4E (0.34) CASP3CASP7MEN1KMT2AMAOB
SCHEMBL9809787 0.93 MEN1 (0.35) MEN1KMT2AMAOBCYP3A4KDM4E
SCHEMBL9809777 0.84 MAOB (0.40) KMT2AMAOBKDM4EALDH1A1
SCHEMBL9302379 0.80 MAOB (0.36) CASP3CASP7MEN1KMT2AMAOB
SCHEMBL9304354 0.77 ALDH1A1 (0.43) KDM4EALDH1A1DRD4
SCHEMBL9304584 0.76 MAOB (0.37) MAOBKDM4EUSP2ALDH1A1LMNA
SCHEMBL9303640 0.74 KMT2A (0.36) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9302635 0.73 MAOB (0.36) MAOBUSP2ALDH1A1LMNA
SCHEMBL8980658 0.72 PKM (0.37) MAOBALDH1A1TSHR
SCHEMBL8367091 0.71 ALDH1A1 (0.39) CASP7MEN1KMT2AKDM4EALDH1A1

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
US-5071850-A Cardiovascular disorders PIERRE FABRE MEDICAMENT (FR) 1991-12-10 US disclosed