Troleandomycin

SCHEMBL13724014

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@@H](C)C[C@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplA rplB rplC rplD rplE rplF rplI rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rpmA rpmB rpmC rpmD rpmE2 rpmF rpmG1 rpmG2 rpmG3 rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU

The experimentally established mechanism targets of Troleandomycin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	12/20	0.70

▸	KCNH2	Q12809	4/20	0.70

▸	ABCB1	P08183	3/20	0.70

▸	SLCO1B3	Q9NPD5	2/20	0.70

▸	SLCO1B1	Q9Y6L6	2/20	0.70

▸	MAPK1	P28482	2/20	0.70

▸	AR	P10275	1/20	0.70

▸	USP2	O75604	4/20	0.66

▸	MLNR	O43193	2/20	0.66

▸	LMNA	P02545	2/20	0.66

▸	TSHR	P16473	1/20	0.66

▸	TDP1	Q9NUW8	1/20	0.66

▸	ALB	P02768	1/20	0.66

▸	CNR1	P21554	1/20	0.66

▸	HTR2A	P28223	1/20	0.66

▸	AOX1	Q06278	1/20	0.66

▸	CYP1B1	Q16678	1/20	0.66

▸	PGR	P06401	1/20	0.64

▸	HTR1A	P08908	1/20	0.64

▸	DRD1	P21728	1/20	0.64

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 SCHEMBL28832632	1.00	CYP3A4 (0.70)	CYP3A4KCNH2ABCB1SLCO1B3SLCO1B1
Erythromycin SCHEMBL11567231	0.88	CYP3A4 (0.75)	CYP3A4KCNH2ABCB1SLCO1B3SLCO1B1
SCHEMBL14030291	0.87	CYP3A4 (0.84)	CYP3A4KCNH2ABCB1SLCO1B3SLCO1B1
SCHEMBL14022608	0.87	CYP3A4 (0.84)	CYP3A4KCNH2ABCB1SLCO1B3SLCO1B1
SCHEMBL12832380	0.87	CYP3A4 (0.84)	CYP3A4KCNH2ABCB1SLCO1B3SLCO1B1
SCHEMBL14030397	0.87	CYP3A4 (0.84)	CYP3A4KCNH2ABCB1SLCO1B3SLCO1B1
SCHEMBL19360836	0.87	CYP3A4 (0.84)	CYP3A4KCNH2ABCB1SLCO1B3SLCO1B1
Clarithromycin SCHEMBL5902600	0.84	CYP3A4 (0.95)	CYP3A4KCNH2ABCB1SLCO1B3SLCO1B1
Clarithromycin SCHEMBL5902602	0.84	CYP3A4 (0.95)	CYP3A4KCNH2ABCB1SLCO1B3SLCO1B1
Clarithromycin SCHEMBL23309064	0.84	CYP3A4 (1.00)	CYP3A4KCNH2ABCB1SLCO1B3SLCO1B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2699579-A1	PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS	Origenis GmbH (DE)	2014-02-26	—	—	EP	disclosed
EP-2699572-A1	HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS	Origenis GmbH (DE)	2014-02-26	—	—	EP	disclosed
WO-2012143144-A1	PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS	ORIGENIS GMBH (DE)	2012-10-26	—	—	WO	disclosed
WO-2012143143-A1	HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS	ORIGENIS GMBH (DE)	2012-10-26	—	—	WO	disclosed