SCHEMBL26436882

CCC[C@H]1[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@H](OC)[C@@H](OC(C)=O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)CC(N(C)C)[C@H]2OC(C)=O)[C@@H](C)C[C@](C)(OC)C(=O)[C@@H]1C

nearest known ligand 0.72

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	13/20	0.72

▸	USP2	O75604	4/20	0.72

▸	ABCB1	P08183	3/20	0.72

▸	LMNA	P02545	2/20	0.55

▸	PGR	P06401	1/20	0.42

▸	HTR1A	P08908	1/20	0.42

▸	DRD1	P21728	1/20	0.42

▸	SLC6A2	P23975	1/20	0.42

▸	OPRM1	P35372	1/20	0.42

▸	DRD3	P35462	1/20	0.42

▸	SLC6A3	Q01959	1/20	0.42

▸	SLCO1B3	Q9NPD5	3/20	0.40

▸	SLCO1B1	Q9Y6L6	3/20	0.40

▸	MLNR	O43193	3/20	0.39

▸	KCNH2	Q12809	4/20	0.38

▸	MAPK1	P28482	2/20	0.38

▸	AR	P10275	1/20	0.38

▸	MEN1	O00255	1/20	0.38

▸	TP53	P04637	1/20	0.38

▸	MAPT	P10636	1/20	0.38

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
Troleandomycin SCHEMBL29470683	0.84	CYP3A4 (1.00)	CYP3A4USP2ABCB1LMNAPGR
Troleandomycin SCHEMBL125070	0.84	CYP3A4 (1.00)	CYP3A4USP2ABCB1LMNAPGR
Troleandomycin SCHEMBL125071	0.84	CYP3A4 (1.00)	CYP3A4USP2ABCB1LMNAPGR
Troleandomycin SCHEMBL664623	0.84	CYP3A4 (1.00)	CYP3A4USP2ABCB1LMNAPGR
Troleandomycin SCHEMBL28198745	0.82	CYP3A4 (0.94)	CYP3A4USP2ABCB1LMNAPGR
Diproleandomycin SCHEMBL2109038	0.75	CYP3A4 (0.78)	CYP3A4USP2ABCB1LMNAPGR
Troleandomycin SCHEMBL3065803	0.75	CYP3A4 (0.79)	CYP3A4USP2ABCB1LMNAPGR
SCHEMBL15944213	0.74	CYP3A4 (0.80)	CYP3A4USP2ABCB1LMNAPGR
Troleandomycin SCHEMBL13724014	0.73	CYP3A4 (0.70)	CYP3A4USP2ABCB1LMNAPGR
Troleandomycin SCHEMBL28832632	0.73	CYP3A4 (0.70)	CYP3A4USP2ABCB1LMNAPGR

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-4173625-A1	BOROMYCIN AS GAMETOCYTOCIDAL COMPOUND	Eberhard Karls Universität Tübingen Medizinische Fakultät (DE)	2023-05-03	—	—	EP	disclosed