SCHEMBL29793919

C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C

nearest known ligand 0.85

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	2/20	0.85

▸	TFPI2	P48307	2/20	0.85

▸	NPY4R	P50391	2/20	0.85

▸	PPP5C	P53041	2/20	0.85

▸	PPM1A	P35813	1/20	0.85

▸	PPP1CC	P36873	1/20	0.85

▸	PPP2R2A	P63151	1/20	0.85

▸	PPP2R5A	Q15172	1/20	0.85

▸	SLCO1B3	Q9NPD5	3/20	0.83

▸	SLCO1B1	Q9Y6L6	3/20	0.83

▸	PPM1B	O75688	1/20	0.72

▸	MEN1	O00255	3/20	0.38

▸	MC4R	P32245	1/20	0.35

▸	MC3R	P41968	1/20	0.35

▸	ITGB3	P05106	2/20	0.34

▸	ITGA2B	P08514	2/20	0.34

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
SCHEMBL29793992	0.97	NPY4R (0.90)	PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL31005304	0.94	PTPN1 (0.95)	PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29777431	0.94	PTPN1 (0.95)	PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29711569	0.94	PTPN1 (0.95)	PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29350648	0.94	PTPN1 (0.95)	PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL29350595	0.94	PTPN1 (0.95)	PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL30788332	0.93	SLCO1B3 (0.96)	PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL30788333	0.93	SLCO1B3 (0.96)	PTPN1TFPI2NPY4RPPP5CPPM1A
SCHEMBL38650007	0.93	SLCO1B3 (0.96)	PTPN1TFPI2NPY4RPPP5CPPM1A
Microcystin-Lr SCHEMBL29349513	0.92	PTPN1 (1.00)	PTPN1TFPI2NPY4RPPP5CPPM1A

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-111718412-B	Broad-spectrum microcystin monoclonal antibody and preparation method thereof	清华大学	2022-09-13	—	—	CN	disclosed