SCHEMBL29814609

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	1/20	0.41

▸	OPRD1	P41143	6/20	0.40

▸	NTSR1	P30989	2/20	0.40

▸	CXCR4	P61073	1/20	0.38

▸	FAP	Q12884	1/20	0.38

▸	F2	P00734	1/20	0.37

▸	CTSD	P07339	1/20	0.37

▸	CTSE	P14091	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.

Compound	similarity	top predicted	shared targets
SCHEMBL5367479	0.88	F2 (0.42)	RENOPRD1NTSR1F2
SCHEMBL29800924	0.87	FAP (0.39)	RENFAP
SCHEMBL5367473	0.84	PTPN1 (0.41)	RENOPRD1NTSR1F2
SCHEMBL29399877	0.84	NTSR1 (0.46)	OPRD1NTSR1F2
SCHEMBL31067238	0.80	NTSR1 (0.50)	OPRD1NTSR1F2
SCHEMBL29569246	0.80	NTSR1 (0.44)	OPRD1NTSR1F2CTSDCTSE
SCHEMBL29800934	0.79	PTPN1 (0.42)	OPRD1NTSR1CXCR4CTSDCTSE
SCHEMBL29814554	0.79	PTPN1 (0.43)	RENNTSR1CXCR4F2
SCHEMBL31748807	0.78	NTSR1 (0.43)	RENOPRD1NTSR1
SCHEMBL5367237	0.78	CXCR4 (0.48)	CXCR4

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-109420179-B	Docetaxel targeted prodrug and anti-colon cancer medicinal application thereof	复旦大学	2022-08-26	—	—	CN	disclosed