SCHEMBL18619948

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(C)CCCCCC/C=C/CCC[C@@](C)(C(=O)CN[C@@H](C)C(=O)CCN[C@@H](C)C(=O)CCN[C@@H](C)C(=O)CCN[C@@H](C)C(=O)CCN[C@@H](C)C(=O)CCN[C@@H](C)C(=O)CN)NC(=O)[C@H](CC(C)C)NN[C@@H](CCC(N)=O)C(=O)CC(=O)[C@H](C)NCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC1=O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	MDM2	Q00987	17/20	0.73

▸	MDM4	O15151	13/20	0.73

▸	TP53	P04637	1/20	0.64

▸	PCSK9	Q8NBP7	2/20	0.61

▸	RXFP4	Q8TDU9	1/20	0.50

▸	RXFP3	Q9NSD7	1/20	0.50

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
SCHEMBL18103621	0.97	MDM2 (0.70)	MDM2MDM4TP53PCSK9
SCHEMBL18620917	0.95	MDM2 (0.70)	MDM2MDM4TP53PCSK9RXFP4
SCHEMBL18618676	0.94	MDM2 (0.72)	MDM2MDM4TP53PCSK9
SCHEMBL19406702	0.94	MDM2 (0.72)	MDM2MDM4TP53PCSK9
SCHEMBL18618628	0.94	MDM2 (0.70)	MDM2MDM4TP53PCSK9
SCHEMBL18618674	0.94	MDM2 (0.70)	MDM2MDM4TP53PCSK9
SCHEMBL19406703	0.94	MDM2 (0.70)	MDM2MDM4TP53PCSK9
SCHEMBL18618623	0.93	MDM2 (0.66)	MDM2MDM4TP53PCSK9
SCHEMBL19406704	0.93	MDM2 (0.69)	MDM2MDM4TP53PCSK9
SCHEMBL18103587	0.92	MDM2 (0.67)	MDM2MDM4TP53PCSK9

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
WO-2017040990-A1	PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF	AILERON THERAPEUTICS, INC. (US)	2017-03-09	—	—	WO	disclosed