SCHEMBL18773431

CC[C@H](NC(=O)C(NC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC)C(=O)NC(C(N)=O)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.42

▸	RXFP1	Q9HBX9	1/20	0.42

▸	IL23R	Q5VWK5	6/20	0.41

▸	OPRL1	P41146	3/20	0.40

▸	KEAP1	Q14145	2/20	0.40

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
SCHEMBL18773423	0.97	KEAP1 (0.41)	TFPIRXFP1IL23ROPRL1KEAP1
SCHEMBL19084913	0.93	OPRL1 (0.40)	TFPIRXFP1IL23ROPRL1KEAP1
SCHEMBL10168630	0.81	RXFP1 (0.54)	TFPIRXFP1KEAP1
SCHEMBL30942619	0.81	IL23R (0.48)	TFPIRXFP1IL23R
SCHEMBL18773409	0.79	TFPI (0.43)	TFPIRXFP1IL23RKEAP1
SCHEMBL16508540	0.79	SIRT5 (0.46)	TFPIIL23ROPRL1
SCHEMBL18773238	0.79	TFPI (0.43)	TFPIRXFP1IL23ROPRL1
SCHEMBL29575493	0.79	TFPI (0.46)	TFPIRXFP1IL23ROPRL1KEAP1
SCHEMBL29815704	0.79	KEAP1 (0.43)	KEAP1
SCHEMBL10169273	0.79	F2 (0.45)	RXFP1

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-9630991-B2	βsheet tapes ribbons in tissue engineering	UNIVERSITY OF LEEDS (GB)	2017-04-25	—	—	US	disclosed