SCHEMBL23928719

CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	CCKBR	P32239	9/20	0.67

▸	CXCL8	P10145	10/20	0.62

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
SCHEMBL29362913	1.00	CCKBR (0.67)	CCKBRCXCL8
SCHEMBL29349773	1.00	CCKBR (0.67)	CCKBRCXCL8
SCHEMBL29150398	0.97	CCKBR (0.62)	CCKBRCXCL8
SCHEMBL30339999	0.95	CXCL8 (0.60)	CCKBRCXCL8
SCHEMBL30435302	0.94	CXCL8 (0.60)	CCKBRCXCL8
SCHEMBL29360635	0.90	CCKBR (0.57)	CCKBRCXCL8
SCHEMBL11566228	0.88	PTGS1 (0.56)	CCKBRCXCL8
SCHEMBL29369719	0.87	CXCL8 (0.69)	CCKBRCXCL8
SCHEMBL30435375	0.86	CXCL8 (0.65)	CCKBRCXCL8
SCHEMBL29408673	0.86	CCKBR (0.70)	CCKBR

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-20210333265-A1	MINI-CANCERS UTILIZATION FOR PERSONALIZED CANCER DRUG REGIMENS	THE JOHNS HOPKINS UNIVERSTY	2021-10-28	—	—	US	disclosed