SCHEMBL21781773

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

nearest known ligand 0.45

Predicted protein targets (top 12)

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

▸	FOLH1	Q04609	2/20	0.40

▸	TTR	P02766	2/20	0.38

▸	AKT1	P31749	3/20	0.36

▸	SSTR2	P30874	2/20	0.34

▸	REN	P00797	1/20	0.33

▸	AGTR2	P50052	1/20	0.33

▸	CTSD	P07339	1/20	0.32

▸	CTSE	P14091	1/20	0.32

▸	BACE1	P56817	1/20	0.32

▸	MMP1	P03956	1/20	0.32

▸	MMP3	P08254	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
SCHEMBL21781954	0.94	CYP3A4 (0.44)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781961	0.92	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781872	0.92	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL24136561	0.92	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781868	0.90	CYP3A4 (0.45)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL24136571	0.90	CYP3A4 (0.46)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL24136516	0.89	CYP3A4 (0.51)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL21781779	0.88	CYP3A4 (0.42)	CYP3A4FOLH1TTRAKT1SSTR2
SCHEMBL22561294	0.88	KLKB1 (0.36)	CYP3A4SSTR2RENCTSDCTSE
SCHEMBL21781842	0.88	CYP3A4 (0.47)	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