SCHEMBL9755632

SCHEMBL9755632

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CLPP Q16740 2/20 0.41
GAA P10253 1/20 0.41
HPGDS O60760 1/20 0.40
BACE1 P56817 3/20 0.40
F2RL1 P55085 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
NPY5R Q15761 3/20 0.37
NPY1R P25929 2/20 0.37
NPY4R P50391 2/20 0.37
MEN1 O00255 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
SCHEMBL9755627 0.93 CTSB (0.45) KMT2AKDM4EALDH1A1POLBOPRM1
SCHEMBL9755638 0.91 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1POLBOPRM1
SCHEMBL9755640 0.90 ALDH1A1 (0.52) KMT2AKDM4EALDH1A1POLBCLPP
SCHEMBL9755630 0.88 ALDH1A1 (0.50) KMT2AKDM4EALDH1A1POLBCLPP
SCHEMBL9755628 0.86 OPRD1 (0.44) KMT2AKDM4EALDH1A1POLBOPRM1
SCHEMBL455429 0.85 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1POLBCLPP
SCHEMBL457080 0.85 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1POLBCLPP
SCHEMBL455428 0.85 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1POLBCLPP
SCHEMBL9755635 0.85 OPRD1 (0.43) KMT2AKDM4EALDH1A1POLBOPRM1
SCHEMBL9755624 0.82 OPRM1 (0.42) OPRM1OPRD1OPRK1GAAF2RL1

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