SCHEMBL21781864

CC[C@H](C)C([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)CNC(=O)CCCN2CCC(C(N)=O)CC2C(F)(F)F)cc1)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.45

▸	FOLH1	Q04609	3/20	0.40

▸	TTR	P02766	2/20	0.38

▸	AKT1	P31749	3/20	0.34

▸	NECTIN4	Q96NY8	1/20	0.32

▸	OPRD1	P41143	2/20	0.32

▸	SSTR2	P30874	2/20	0.31

▸	REN	P00797	1/20	0.31

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
SCHEMBL21781928	0.96	CYP3A4 (0.42)	CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21781764	0.95	CYP3A4 (0.43)	CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21782058	0.94	CYP3A4 (0.44)	CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21781836	0.91	CYP3A4 (0.52)	CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21782105	0.91	CYP3A4 (0.52)	CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21781950	0.91	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1OPRD1
SCHEMBL21781904	0.89	CYP3A4 (0.41)	CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21781901	0.89	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21782005	0.89	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1NECTIN4
SCHEMBL21782034	0.89	CYP3A4 (0.51)	CYP3A4FOLH1TTRAKT1NECTIN4

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
EP-3617221-A1	CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR	Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN)	2020-03-04	—	—	EP	disclosed