SCHEMBL20192209

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C[C@H](C)C(=O)NOCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)C(NC(=O)CCCC(=O)N2CCC(C(=O)O)CC2)C(C)C)cc1)OC)N(C)C(=O)[C@@H](NC(=O)C(C(C)C)N(C)C)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.50

▸	FOLH1	Q04609	3/20	0.47

▸	TTR	P02766	2/20	0.44

▸	FAP	Q12884	5/20	0.40

▸	SSTR2	P30874	2/20	0.37

▸	NECTIN4	Q96NY8	1/20	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
SCHEMBL17575283	1.00	CYP3A4 (0.50)	CYP3A4FOLH1TTRFAPSSTR2
SCHEMBL17575423	0.95	CYP3A4 (0.53)	CYP3A4FOLH1TTRFAPSSTR2
SCHEMBL16730856	0.95	CYP3A4 (0.55)	CYP3A4FOLH1TTRFAPSSTR2
SCHEMBL19522554	0.95	CYP3A4 (0.55)	CYP3A4FOLH1TTRFAPSSTR2
SCHEMBL20192266	0.94	CYP3A4 (0.51)	CYP3A4FOLH1TTRFAPSSTR2
SCHEMBL17575259	0.92	CYP3A4 (0.50)	CYP3A4FOLH1TTRFAPSSTR2
SCHEMBL20192098	0.92	CYP3A4 (0.50)	CYP3A4FOLH1TTRFAPSSTR2
SCHEMBL20192258	0.92	CYP3A4 (0.48)	CYP3A4FOLH1TTRFAPSSTR2
SCHEMBL17575384	0.92	CYP3A4 (0.48)	CYP3A4FOLH1TTRFAPSSTR2
SCHEMBL19084307	0.91	CYP3A4 (0.49)	CYP3A4FOLH1TTRFAPSSTR2

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
US-9981046-B2	Drug-conjugates, conjugation methods, and uses thereof	Concortis Biosystems, Corp., a wholly owned Subsidiary of Sorrento Therapeutics, Inc. (US)	2018-05-29	—	—	US	disclosed