SCHEMBL7787420

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(CI)C(=O)O.CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCCC(=O)OCI.CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCOC(=O)OCI.CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cccc(C(=O)O)c1CI

nearest known ligand 0.38

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.38

▸	CYP2D6	P10635	1/20	0.38

▸	CYP2C9	P11712	1/20	0.38

▸	CYP2C19	P33261	1/20	0.38

▸	RAB9A	P51151	1/20	0.38

▸	MEN1	O00255	3/20	0.38

▸	KMT2A	Q03164	3/20	0.38

▸	LMNA	P02545	1/20	0.38

▸	CTSL	P07711	2/20	0.37

▸	CTSB	P07858	2/20	0.37

▸	CTSS	P25774	2/20	0.37

▸	CTSK	P43235	1/20	0.35

▸	MME	P08473	1/20	0.34

▸	ECE1	P42892	1/20	0.34

▸	CASP3	P42574	3/20	0.33

▸	CASP1	P29466	2/20	0.33

▸	REN	P00797	1/20	0.31

▸	TGM2	P21980	1/20	0.30

▸	CASP7	P55210	1/20	0.30

▸	CASP9	P55211	1/20	0.30

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
SCHEMBL7790304	0.91	CASP1 (0.36)	CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL8148353	0.91	CYP3A4 (0.45)	CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL7676348	0.81	CTSL (0.53)	CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3797250	0.81	CTSL (0.53)	CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3729686	0.78	CYP3A4 (0.58)	CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3739431	0.76	CYP3A4 (0.60)	CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3739442	0.76	CYP3A4 (0.60)	CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL8130189	0.76	CASP1 (0.47)	CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3729654	0.76	CYP3A4 (0.61)	CYP3A4CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL3726928	0.74	CTSL (0.47)	MEN1KMT2ACTSLCTSBCTSS

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-1150956-A1	NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS	MEDIVIR AB (SE)	2001-11-07	—	—	EP	disclosed
WO-2000047561-A1	NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS	MEDIVIR AB (SE)	2000-08-17	—	—	WO	disclosed