SCHEMBL8176243

CC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	10/20	0.59

▸	ERBB2	P04626	1/20	0.56

▸	KISS1R	Q969F8	4/20	0.55

▸	MAGI3	Q5TCQ9	1/20	0.51

▸	IL23R	Q5VWK5	1/20	0.51

▸	CCKBR	P32239	1/20	0.50

▸	CXCR4	P61073	1/20	0.50

▸	CAPN1	P07384	1/20	0.49

▸	CTSB	P07858	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
SCHEMBL7328007	0.86	ERBB2 (0.69)	ERBB2KISS1RMAGI3IL23RCCKBR
SCHEMBL7327253	0.86	CCKBR (0.56)	CXCL8ERBB2KISS1RCCKBRCXCR4
SCHEMBL7331184	0.84	CCKBR (0.56)	CXCL8KISS1RCCKBRCXCR4CAPN1
SCHEMBL7396077	0.82	MAGI3 (0.60)	CXCL8ERBB2KISS1RMAGI3IL23R
SCHEMBL9068982	0.82	MAGI3 (0.58)	CXCL8KISS1RMAGI3IL23RCCKBR
SCHEMBL7396073	0.82	KISS1R (0.58)	CXCL8ERBB2KISS1RMAGI3IL23R
SCHEMBL31497326	0.82	CALCRL (0.46)	CXCL8
SCHEMBL7402771	0.81	KISS1R (0.57)	ERBB2KISS1RMAGI3IL23RCCKBR
SCHEMBL31606517	0.81	KISS1R (0.58)	CXCL8KISS1RIL23RCCKBR
SCHEMBL31497361	0.81	ERBB2 (0.72)	ERBB2KISS1RMAGI3IL23RCCKBR

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
US-6111065-A	INHIBIT NEUTROPHIL ADHESION TO P-SELECTIN; ANTIINFLAMMATORY AGENTS; ANTICOAGULANTS; DIAGNOSTICS	CENTOCOR, INC. (US)	2000-08-29	—	—	US	disclosed