SCHEMBL9755638

SCHEMBL9755638

CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CLPP Q16740 2/20 0.43
BACE1 P56817 3/20 0.41
GAA P10253 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
CTSL P07711 3/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37

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
SCHEMBL9755632 0.91 KMT2A (0.43) ALDH1A1KMT2AKDM4EPOLBCLPP
SCHEMBL9755630 0.88 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EPOLBCLPP
SCHEMBL9755627 0.88 CTSB (0.45) ALDH1A1KMT2AKDM4EPOLBCLPP
SCHEMBL9755640 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EPOLBCLPP
SCHEMBL9755635 0.83 OPRD1 (0.43) ALDH1A1KMT2AKDM4EPOLBCLPP
SCHEMBL9755628 0.82 OPRD1 (0.44) ALDH1A1KMT2AKDM4EPOLBBACE1
SCHEMBL457080 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EPOLBCLPP
SCHEMBL455428 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EPOLBCLPP
SCHEMBL455429 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EPOLBCLPP
SCHEMBL9755626 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EPOLBCLPP

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
WO-1991019984-A1 CARBOXYL-TERMINAL PROTEIN SEQUENCING METHOD AND APPARATUS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1991-12-26 WO disclosed
US-5064767-A CARBOXYL-TERMINAL PROTEIN SEQUENCING METHOD AND KIT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1991-11-12 US disclosed