SCHEMBL29680203

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.56

▸	MAOB	P27338	1/20	0.56

▸	KDM5A	P29375	1/20	0.56

▸	KDM1B	Q8NB78	1/20	0.56

▸	TFPI	P10646	4/20	0.54

▸	KEAP1	Q14145	2/20	0.54

▸	OPRK1	P41145	1/20	0.54

▸	CALCRL	Q16602	1/20	0.51

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.

Compound	similarity	top predicted	shared targets
SCHEMBL29679885	0.95	KEAP1 (0.59)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL30906344	0.89	KEAP1 (0.59)	TFPIKEAP1
SCHEMBL31228878	0.88	KDM1A (0.47)	KDM1AMAOBKDM5AKDM1B
SCHEMBL29625799	0.87	TFPI (0.61)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL30906362	0.87	KEAP1 (0.57)	TFPIKEAP1OPRK1
SCHEMBL30974483	0.87	TFPI (0.64)	TFPIOPRK1
SCHEMBL29625796	0.87	KDM1A (0.66)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL30906484	0.86	TFPI (0.59)	TFPIOPRK1
SCHEMBL29679720	0.86	CXCR4 (0.49)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL29679540	0.86	OPRD1 (0.57)	OPRK1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2022069704-A2	IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS	INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE)	2022-04-07	—	—	WO	disclosed