SCHEMBL7292425

O=C(N[C@H]1c2ccccc2[C@@H](O)[C@H]1O)[C@H](Cc1ccc(OCCO)cc1)CC(O)C[C@@H](Cc1ccc(OCCO)cc1)C(=O)N[C@H]1c2ccccc2[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	13/20	0.47

▸	MMP9	P14780	3/20	0.40

▸	MMP1	P03956	2/20	0.40

▸	MMP2	P08253	2/20	0.40

▸	MMP8	P22894	1/20	0.40

▸	MME	P08473	2/20	0.37

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
SCHEMBL7292111	0.90	VIPR2 (0.46)	VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7299000	0.85	VIPR2 (0.48)	VIPR2
SCHEMBL7293265	0.83	VIPR2 (0.65)	VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7298952	0.82	VIPR2 (0.45)	VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7299662	0.77	VIPR2 (0.40)	VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7301170	0.74	VIPR2 (0.48)	VIPR2
SCHEMBL7301166	0.74	VIPR2 (0.48)	VIPR2
SCHEMBL7300433	0.70	VIPR2 (0.58)	VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7300421	0.70	VIPR2 (0.58)	VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7291848	0.69	IL1RN (0.39)	—

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-0480714-A2	HIV protease inhibitors having symmetrical structure	MERCK & CO. INC. (US)	1992-04-15	—	—	EP	claimed
EP-0480714-A2	HIV protease inhibitors having symmetrical structure	MERCK & CO. INC. (US)	1992-04-15	—	—	EP	disclosed