SCHEMBL31464901

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.63

▸	TFPI	P10646	5/20	0.58

▸	MAOB	P27338	1/20	0.57

▸	KDM5A	P29375	1/20	0.57

▸	KDM1B	Q8NB78	1/20	0.57

▸	CALCR	P30988	5/20	0.57

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	NPY1R	P25929	2/20	0.56

▸	NPY2R	P49146	2/20	0.56

▸	NPY4R	P50391	2/20	0.56

▸	NPY5R	Q15761	2/20	0.56

▸	RAMP1	O60894	1/20	0.56

▸	RAMP2	O60895	1/20	0.56

▸	RAMP3	O60896	1/20	0.56

▸	CALCRL	Q16602	1/20	0.56

▸	APLNR	P35414	1/20	0.56

▸	C5AR1	P21730	1/20	0.56

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
SCHEMBL31464889	0.93	KDM1A (0.65)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL29771870	0.92	CALCR (0.68)	CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL29771869	0.92	CALCR (0.68)	CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL29771868	0.92	CALCR (0.68)	CALCRNPY1RNPY2RNPY4RNPY5R
SCHEMBL31504149	0.91	CALCR (0.67)	KDM1ATFPICALCRRAMP1RAMP2
SCHEMBL31504148	0.91	CALCR (0.66)	KDM1ATFPICALCRRAMP1RAMP2
SCHEMBL31464899	0.91	CALCR (0.69)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL31464902	0.91	CALCR (0.69)	KDM1ATFPIMAOBKDM5AKDM1B
SCHEMBL30262233	0.89	CALCR (0.64)	TFPICALCRNPY1RNPY2RNPY4R
SCHEMBL31182874	0.88	MAPK8 (0.66)	KDM1ACALCRMAPK8MAPK9MAPK10

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-119823232-A	STAT3 inhibition polypeptide, anti-tumor drug and application	无锡市人民医院	2025-04-15	—	—	CN	disclosed