SCHEMBL29392901

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.57

▸	CXCR4	P61073	5/20	0.52

▸	TFPI	P10646	4/20	0.51

▸	RAMP1	O60894	1/20	0.51

▸	CALCRL	Q16602	1/20	0.51

▸	KEAP1	Q14145	1/20	0.51

▸	OPRL1	P41146	2/20	0.51

▸	NMUR2	Q9GZQ4	1/20	0.50

▸	NMUR1	Q9HB89	1/20	0.50

▸	MAPK8	P45983	1/20	0.50

▸	MAPK9	P45984	1/20	0.50

▸	MAPK10	P53779	1/20	0.50

▸	C5AR1	P21730	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
SCHEMBL29389698	0.96	EPHA2 (0.56)	EPHA2CXCR4TFPIOPRL1C5AR1
SCHEMBL29392765	0.94	EPHA2 (0.57)	EPHA2CXCR4TFPIOPRL1C5AR1
SCHEMBL29392539	0.92	CALCRL (0.56)	EPHA2RAMP1CALCRLKEAP1
SCHEMBL29390108	0.90	EPHA2 (0.62)	EPHA2CXCR4TFPIC5AR1
SCHEMBL30415150	0.90	EPHA2 (0.62)	EPHA2CXCR4TFPINMUR2NMUR1
SCHEMBL29392324	0.89	KEAP1 (0.51)	EPHA2RAMP1CALCRLKEAP1NMUR2
SCHEMBL30186556	0.88	CALCRL (0.55)	RAMP1CALCRLKEAP1NMUR2NMUR1
SCHEMBL29674947	0.88	EPHA2 (0.54)	EPHA2CXCR4NMUR2NMUR1MAPK8
SCHEMBL29674916	0.88	EPHA2 (0.54)	EPHA2CXCR4NMUR2NMUR1MAPK8
SCHEMBL29392890	0.88	CALCRL (0.56)	EPHA2RAMP1CALCRLKEAP1

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
US-20230165943-A1	TP508 ACUTE THERAPY FOR PATIENTS WITH RESPIRATORY VIRUS INFECTION	CHRYSALIS BIOTHERAPEUTICS, INC.	2023-06-01	—	—	US	disclosed
EP-3952991-A1	RUSALATIDE ACETATE COMPOSITIONS	Affirmed Pharma, LLC (US)	2022-02-16	—	—	EP	disclosed