SCHEMBL29914576

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

nearest known ligand 0.56

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.50

▸	CTSB	P07858	1/20	0.50

▸	APC	P25054	1/20	0.49

▸	QRFPR	Q96P65	1/20	0.49

▸	BACE1	P56817	6/20	0.49

▸	CTSD	P07339	1/20	0.49

▸	OPRM1	P35372	1/20	0.49

▸	OPRD1	P41143	1/20	0.49

▸	OPRK1	P41145	1/20	0.49

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
SCHEMBL29904036	0.99	TFPI (0.51)	TFPICTSBAPCQRFPRBACE1
SCHEMBL29904058	0.94	OPRD1 (0.51)	CTSBBACE1CTSDOPRM1OPRD1
SCHEMBL29904037	0.87	OPRD1 (0.56)	CTSBQRFPROPRM1OPRD1OPRK1
SCHEMBL29512270	0.87	APC (0.55)	APCQRFPRBACE1OPRM1OPRD1
SCHEMBL29939679	0.87	APC (0.55)	APCQRFPRBACE1OPRM1OPRD1
SCHEMBL31243864	0.86	BACE1 (0.52)	CTSBBACE1CTSD
SCHEMBL29904057	0.83	OPRD1 (0.66)	APCOPRM1OPRD1OPRK1
SCHEMBL30292595	0.83	CTSB (0.56)	CTSBBACE1CTSD
SCHEMBL30193614	0.82	OPRD1 (0.56)	CTSBQRFPRCTSDOPRM1OPRD1
SCHEMBL31182448	0.82	TFPI (0.60)	TFPIBACE1OPRM1OPRD1OPRK1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-111200976-B	Radioactive liquid embolism	微仙美国有限公司	2023-07-07	—	—	CN	disclosed
CN-115279427-A	Liquid embolus	微仙美国有限公司	2022-11-01	—	—	CN	disclosed