SCHEMBL31060302

CC[C@H](C)[C@@H]1NC(=O)C(N)C(C)(C)SSC[C@H](C(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CACNA1B	Q00975	1/20	0.53

▸	FLT1	P17948	1/20	0.50

▸	CD2	P06729	1/20	0.49

▸	CD58	P19256	1/20	0.49

▸	SRC	P12931	1/20	0.48

▸	ELANE	P08246	4/20	0.48

▸	SSTR4	P31391	9/20	0.48

▸	SSTR2	P30874	8/20	0.48

▸	SSTR3	P32745	8/20	0.48

▸	SSTR5	P35346	8/20	0.48

▸	SSTR1	P30872	4/20	0.48

▸	GRB2	P62993	1/20	0.47

▸	OXTR	P30559	1/20	0.47

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
Kalata B8 SCHEMBL30173419	0.76	CACNA1B (0.70)	CACNA1BELANE
SCHEMBL29386734	0.75	PRKACA (0.61)	SSTR4SSTR2SSTR3SSTR5SSTR1
Tricyclon A SCHEMBL30132414	0.75	FLT1 (0.60)	CACNA1BFLT1ELANESSTR4SSTR2
Cycloviolacin O15 SCHEMBL30831403	0.75	ELANE (0.68)	ELANE
Cyclopsychotride A SCHEMBL30116118	0.74	ELANE (0.61)	ELANE
SCHEMBL20910081	0.73	CACNA1B (0.69)	CACNA1BELANESSTR4SSTR2SSTR3
SCHEMBL13827825	0.72	OXTR (0.70)	SSTR4SSTR2SSTR3SSTR5SSTR1
SCHEMBL14060519	0.72	OXTR (0.70)	SSTR4SSTR2SSTR3SSTR5SSTR1
SCHEMBL15510980	0.72	OXTR (0.70)	SSTR4SSTR2SSTR3SSTR5SSTR1
SCHEMBL324626	0.72	OXTR (0.70)	SSTR4SSTR2SSTR3SSTR5SSTR1

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
EP-4662319-A2	PERSONALIZED CRISPR PROFILING FOR CANCER	Integrate Bioscience LLC (US)	2025-12-17	—	—	EP	disclosed
WO-2024168301-A2	PERSONALIZED CRISPR PROFILING FOR CANCER	FUNCTION ONCOLOGY, INC. (US)	2024-08-15	—	—	WO	disclosed