SCHEMBL29496489

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

nearest known ligand 0.47

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PLK1	P53350	1/20	0.45

▸	RAMP3	O60896	12/20	0.44

▸	CALCR	P30988	12/20	0.44

▸	APLNR	P35414	1/20	0.43

▸	ITGB1	P05556	1/20	0.41

▸	ITGA4	P13612	1/20	0.41

▸	CTSL	P07711	1/20	0.41

▸	CTSS	P25774	1/20	0.41

▸	CTSK	P43235	1/20	0.41

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
SCHEMBL29496437	0.96	PLK1 (0.43)	PLK1RAMP3CALCRAPLNRITGB1
SCHEMBL29496498	0.94	RAMP3 (0.45)	PLK1RAMP3CALCRAPLNR
SCHEMBL29496452	0.94	PLK1 (0.44)	PLK1RAMP3CALCRITGB1ITGA4
SCHEMBL29823809	0.92	RAMP3 (0.45)	PLK1RAMP3CALCRAPLNR
SCHEMBL30997432	0.92	RAMP3 (0.43)	PLK1RAMP3CALCRAPLNRCTSL
SCHEMBL29496428	0.92	RAMP3 (0.43)	PLK1RAMP3CALCRAPLNR
SCHEMBL29496425	0.90	RAMP3 (0.49)	PLK1RAMP3CALCRITGB1ITGA4
SCHEMBL29496455	0.88	RAMP3 (0.46)	RAMP3CALCRCTSLCTSSCTSK
SCHEMBL31307224	0.88	RAMP3 (0.49)	PLK1RAMP3CALCRAPLNR
SCHEMBL29823805	0.88	RAMP3 (0.39)	PLK1RAMP3CALCRAPLNRITGB1

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-20220235111-A1	Variant Single-Chain Insulin Analogues	CASE WESTERN RESERVE UNIVERSITY	2022-07-28	—	—	US	disclosed
EP-3969467-A2	VARIANT SINGLE-CHAIN INSULIN ANALOGUES	CASE WESTERN RESERVE UNIVERSITY (US)	2022-03-23	—	—	EP	disclosed