SCHEMBL29800934

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	1/20	0.42

▸	NTSR1	P30989	2/20	0.41

▸	APLNR	P35414	1/20	0.41

▸	OPRD1	P41143	5/20	0.40

▸	CTSD	P07339	2/20	0.39

▸	CTSE	P14091	2/20	0.39

▸	XIAP	P98170	1/20	0.39

▸	CXCR4	P61073	1/20	0.38

▸	BACE1	P56817	1/20	0.38

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
SCHEMBL29569246	0.95	NTSR1 (0.44)	PTPN1NTSR1APLNROPRD1CTSD
SCHEMBL29800900	0.91	NTSR1 (0.48)	PTPN1NTSR1OPRD1XIAP
SCHEMBL29399877	0.90	NTSR1 (0.46)	PTPN1NTSR1APLNROPRD1
SCHEMBL31067246	0.90	PTPN1 (0.43)	PTPN1NTSR1APLNROPRD1XIAP
SCHEMBL29801129	0.90	PTPN1 (0.45)	PTPN1NTSR1APLNROPRD1CXCR4
SCHEMBL31748807	0.90	NTSR1 (0.43)	NTSR1APLNROPRD1XIAP
SCHEMBL31067238	0.87	NTSR1 (0.50)	PTPN1NTSR1OPRD1
SCHEMBL21312656	0.87	APLNR (0.45)	PTPN1NTSR1APLNROPRD1CTSD
SCHEMBL31067241	0.86	NTSR1 (0.55)	NTSR1OPRD1
SCHEMBL29904041	0.85	APLNR (0.41)	PTPN1NTSR1APLNROPRD1

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
CN-109422799-B	Docetaxel liver cancer-resisting targeted prodrug and medicinal application thereof	复旦大学	2022-07-29	—	—	CN	claimed