SCHEMBL13287934

CC(C)(C)SC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	9/20	0.52

▸	BCL2L1	Q07817	1/20	0.48

▸	BAD	Q92934	1/20	0.48

▸	BECN1	Q14457	8/20	0.46

▸	OPRL1	P41146	2/20	0.44

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
SCHEMBL12082720	0.95	IL23R (0.56)	IL23RBCL2L1BADBECN1OPRL1
SCHEMBL13287941	0.84	SSTR2 (0.50)	IL23RBCL2L1BAD
SCHEMBL13113566	0.83	SSTR2 (0.50)	IL23RBCL2L1BAD
SCHEMBL13659868	0.82	IL23R (0.48)	IL23R
SCHEMBL13659873	0.82	IL23R (0.45)	IL23RBCL2L1BAD
SCHEMBL12082795	0.79	IL23R (0.52)	IL23R
SCHEMBL12082890	0.77	IL23R (0.50)	IL23ROPRL1
SCHEMBL13287950	0.75	ALB (0.46)	—
SCHEMBL10046387	0.75	TFPI (0.47)	IL23ROPRL1
SCHEMBL31181296	0.74	IL23R (0.48)	IL23ROPRL1

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-7737252-B2	Peptide-based compounds	GE HEALTHCARE AS (NO)	2010-06-15	—	—	US	disclosed