SCHEMBL9545386

COc1ccc([C@@H]2CC[C@H](C(=O)N3Cc4ccccc4C[C@@H]3CC(=O)O)N2C(=O)[C@H]2Cc3ccccc3N2C(=O)OC2CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MMP9	P14780	3/20	0.37

▸	MEN1	O00255	2/20	0.36

▸	MAPT	P10636	2/20	0.36

▸	KMT2A	Q03164	2/20	0.36

▸	GAA	P10253	1/20	0.36

▸	NR1D1	P20393	1/20	0.36

▸	TAS2R14	Q9NYV8	1/20	0.35

▸	MMP1	P03956	1/20	0.34

▸	MMP3	P08254	1/20	0.34

▸	ADAM17	P78536	1/20	0.34

▸	ADAM9	Q13443	1/20	0.34

▸	KDM4E	B2RXH2	1/20	0.34

▸	NPSR1	Q6W5P4	1/20	0.34

▸	PPARG	P37231	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	LMNA	P02545	1/20	0.34

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
SCHEMBL9542488	0.93	PREP (0.33)	—
SCHEMBL9543541	0.93	PREP (0.34)	—
SCHEMBL9542906	0.91	MMP9 (0.39)	MMP9MEN1MAPTKMT2AGAA
SCHEMBL9542964	0.86	FFAR2 (0.42)	MMP9MEN1MAPTKMT2AKDM4E
SCHEMBL9543981	0.84	PREP (0.37)	—
SCHEMBL9544923	0.84	PREP (0.37)	—
SCHEMBL9544300	0.84	PREP (0.37)	—
SCHEMBL9543570	0.83	PREP (0.38)	—
SCHEMBL9544782	0.82	OPRD1 (0.36)	NR1D1
SCHEMBL9544069	0.82	OPRD1 (0.36)	NR1D1

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-1993020099-A2	CCK AND/OR GASTRIN RECEPTOR LIGANDS	FERRING B.V. (NL)	1993-10-14	—	—	WO	claimed