SCHEMBL21781949

CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)CNC(=O)COCCOCC(=O)N2CCC(C(N)=O)CC2C)cc1)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.43

▸	FOLH1	Q04609	3/20	0.41

▸	TTR	P02766	2/20	0.39

▸	AKT1	P31749	3/20	0.36

▸	SSTR2	P30874	2/20	0.33

▸	CCKAR	P32238	1/20	0.33

▸	CCKBR	P32239	1/20	0.33

▸	OPRD1	P41143	2/20	0.33

▸	NMUR2	Q9GZQ4	1/20	0.32

▸	NMUR1	Q9HB89	1/20	0.32

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
SCHEMBL21781950	0.95	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781869	0.94	CYP3A4 (0.40)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781997	0.94	CYP3A4 (0.45)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781745	0.92	CYP3A4 (0.39)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21782122	0.92	CYP3A4 (0.43)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781908	0.91	CYP3A4 (0.44)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL22068136	0.89	CYP3A4 (0.49)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21782005	0.88	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL24136561	0.88	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781961	0.88	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1SSTR2

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