Erythromycin Ethylsuccinate

SCHEMBL5697690

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.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@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Erythromycin Ethylsuccinate. 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	9/20	0.89

▸	SLCO1B3	Q9NPD5	3/20	0.89

▸	SLCO1B1	Q9Y6L6	3/20	0.89

▸	USP2	O75604	3/20	0.89

▸	PGR	P06401	1/20	0.78

▸	HTR1A	P08908	1/20	0.78

▸	DRD1	P21728	1/20	0.78

▸	SLC6A2	P23975	1/20	0.78

▸	OPRM1	P35372	1/20	0.78

▸	DRD3	P35462	1/20	0.78

▸	SLC6A3	Q01959	1/20	0.78

▸	KCNH2	Q12809	5/20	0.77

▸	ABCB1	P08183	2/20	0.77

▸	MLNR	O43193	2/20	0.77

▸	TSHR	P16473	2/20	0.77

▸	LMNA	P02545	2/20	0.77

▸	TDP1	Q9NUW8	1/20	0.77

▸	ALB	P02768	1/20	0.77

▸	CNR1	P21554	1/20	0.77

▸	HTR2A	P28223	1/20	0.77

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
Erythromycin SCHEMBL8369453	0.97	PGR (0.83)	CYP3A4SLCO1B3SLCO1B1USP2PGR
Erythromycin Ethylsuccinate SCHEMBL28251264	0.96	CYP3A4 (0.96)	CYP3A4SLCO1B3SLCO1B1USP2PGR
SCHEMBL788111	0.95	PGR (0.87)	CYP3A4SLCO1B3SLCO1B1USP2PGR
SCHEMBL40640	0.95	PGR (0.87)	CYP3A4SLCO1B3SLCO1B1USP2PGR
Erythromycin Ethylsuccinate SCHEMBL5082211	0.94	CYP3A4 (1.00)	CYP3A4SLCO1B3SLCO1B1USP2PGR
Erythromycin Ethylsuccinate SCHEMBL537373	0.94	CYP3A4 (1.00)	CYP3A4SLCO1B3SLCO1B1USP2PGR
Erythromycin Ethylsuccinate SCHEMBL7866739	0.94	CYP3A4 (1.00)	CYP3A4SLCO1B3SLCO1B1USP2PGR
Erythromycin Ethylsuccinate SCHEMBL18259	0.94	CYP3A4 (1.00)	CYP3A4SLCO1B3SLCO1B1USP2PGR
Erythromycin Ethylsuccinate SCHEMBL9118779	0.94	CYP3A4 (0.99)	CYP3A4SLCO1B3SLCO1B1USP2PGR
Erythromycin Ethylsuccinate SCHEMBL15665988	0.94	CYP3A4 (0.99)	CYP3A4SLCO1B3SLCO1B1USP2PGR

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0966481-B1	COMPOSITIONS AND METHODS FOR TREATING INFECTIONS USING CATIONIC PEPTIDES ALONE OR IN COMBINATION WITH ANTIBIOTICS	MIGENIX INC (CA)	2006-07-19	—	—	EP	disclosed
EP-0925308-B1	COMPOSITIONS AND METHODS FOR TREATING INFECTIONS USING ANALOGUES OF INDOLICIDIN	MICROLOGIX BIOTECH INC (CA)	2002-06-05	—	—	EP	disclosed
EP-1174439-A2	Compositions and methods for treating infections using analogues of indolicidin	Micrologix Biotech, Inc. (CA)	2002-01-23	—	—	EP	disclosed