SCHEMBL22134444

CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)CO

nearest known ligand 0.37

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	AKT1	P31749	1/20	0.37

▸	PLK1	P53350	2/20	0.37

▸	SIRT5	Q9NXA8	1/20	0.34

▸	CA1	P00915	3/20	0.34

▸	CA2	P00918	3/20	0.34

▸	SDCBP	O00560	1/20	0.34

▸	SDC2	P34741	1/20	0.34

▸	GLP1R	P43220	9/20	0.33

▸	TDP1	Q9NUW8	2/20	0.33

▸	ATM	Q13315	1/20	0.33

▸	MAPT	P10636	1/20	0.33

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
SCHEMBL20263641	0.93	GLP1R (0.41)	AKT1PLK1CA1CA2SDCBP
SCHEMBL22115943	0.93	GLP1R (0.41)	AKT1PLK1CA1CA2SDCBP
SCHEMBL19776855	0.93	GLP1R (0.41)	AKT1PLK1CA1CA2SDCBP
SCHEMBL17841862	0.93	GLP1R (0.41)	AKT1PLK1CA1CA2SDCBP
SCHEMBL19776849	0.93	GLP1R (0.41)	AKT1PLK1CA1CA2SDCBP
SCHEMBL16862472	0.93	GLP1R (0.41)	AKT1PLK1CA1CA2SDCBP
SCHEMBL23196321	0.91	AKT1 (0.38)	AKT1PLK1CA1CA2SDCBP
SCHEMBL21450348	0.89	CA1 (0.38)	AKT1PLK1SIRT5CA1CA2
SCHEMBL25401869	0.89	CA1 (0.38)	AKT1PLK1SIRT5CA1CA2
SCHEMBL21450541	0.83	AKT1 (0.37)	AKT1SIRT5GLP1R

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-3086814-B1	DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP)	Bayer Pharma AG (DE)	2020-06-24	—	—	EP	disclosed