SCHEMBL7936626

COc1ccc2c(O[C@@H]3C[C@@H](C(=O)NC4(C(=O)O)CC4)N(C(=O)[C@@H](Nc4cc(F)cc(C(F)(F)F)c4)C(C)(C)C)C3)cc(-c3nc(C(C)C)cs3)nc2c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CTSB	P07858	1/20	0.42

▸	PPP3CB	P16298	1/20	0.42

▸	ABCC1	P33527	1/20	0.39

▸	ABCC2	Q92887	1/20	0.39

▸	ABCG2	Q9UNQ0	1/20	0.39

▸	CTSS	P25774	1/20	0.39

▸	ADRB3	P13945	1/20	0.33

▸	ADRA2B	P18089	1/20	0.33

▸	ADRA2C	P18825	1/20	0.33

▸	CYP3A4	P08684	2/20	0.31

▸	VHL	P40337	2/20	0.30

▸	ELOC	Q15369	1/20	0.30

▸	ELOB	Q15370	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
SCHEMBL13337149	0.92	ABCC1 (0.48)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL7945580	0.92	CTSS (0.47)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL7936629	0.90	ABCC1 (0.45)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10069870	0.87	CTSS (0.49)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL7945227	0.87	ABCC1 (0.41)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL7936094	0.86	CTSB (0.46)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL7936765	0.86	CTSS (0.47)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL7945453	0.86	CTSB (0.46)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL7943700	0.82	CTSB (0.46)	CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL7945739	0.81	CTSB (0.46)	CTSBPPP3CBABCC1ABCC2ABCG2

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-2010045266-A1	THERAPEUTIC ANTIVIRAL PEPTIDES	INTERMUNE, INC. (US)	2010-04-22	—	—	WO	disclosed