Doxycycline Anhydrous

SCHEMBL1200549

C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl.Cl

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1 MMP13 MMP7 MMP8 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 Doxycycline Anhydrous. 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
▸	MMP7 known ✓	P09237	1/20	0.68

▸	MMP8 known ✓	P22894	1/20	0.68

▸	MMP13 known ✓	P45452	1/20	0.68

▸	TDP1	Q9NUW8	10/20	0.70

▸	KDM4E	B2RXH2	9/20	0.70

▸	L3MBTL1	Q9Y468	7/20	0.70

▸	USP2	O75604	6/20	0.70

▸	HSD17B10	Q99714	6/20	0.69

▸	HIF1A	Q16665	3/20	0.69

▸	TSHR	P16473	1/20	0.69

▸	MMP2	P08253	1/20	0.68

▸	MMP3	P08254	1/20	0.68

▸	ADORA1	P30542	1/20	0.68

▸	ADRA1A	P35348	1/20	0.68

▸	RECQL	P46063	7/20	0.65

▸	PLA2G1B	P04054	1/20	0.65

▸	ATG4B	Q9Y4P1	1/20	0.65

▸	HPGD	P15428	7/20	0.50

▸	MEN1	O00255	6/20	0.50

▸	KMT2A	Q03164	6/20	0.50

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
Doxycycline Anhydrous SCHEMBL40834	1.00	TDP1 (0.70)	TDP1KDM4EL3MBTL1USP2HSD17B10
Doxycycline Anhydrous SCHEMBL29947847	1.00	TDP1 (0.70)	TDP1KDM4EL3MBTL1USP2HSD17B10
Doxycycline Anhydrous SCHEMBL40836	1.00	TDP1 (0.70)	TDP1KDM4EL3MBTL1USP2HSD17B10
Doxycycline Anhydrous SCHEMBL8709954	1.00	TDP1 (0.70)	TDP1KDM4EL3MBTL1USP2HSD17B10
Doxycycline Anhydrous SCHEMBL29151798	0.99	TDP1 (0.69)	TDP1KDM4EL3MBTL1USP2HSD17B10
Doxycycline Anhydrous SCHEMBL497165	0.99	TDP1 (0.69)	TDP1KDM4EL3MBTL1USP2HSD17B10
Doxycycline Anhydrous SCHEMBL497163	0.99	TDP1 (0.69)	TDP1KDM4EL3MBTL1USP2HSD17B10
Doxycycline Anhydrous SCHEMBL229272	0.99	TDP1 (0.69)	TDP1KDM4EL3MBTL1USP2HSD17B10
Doxycycline Anhydrous SCHEMBL8709949	0.99	TDP1 (0.69)	TDP1KDM4EL3MBTL1USP2HSD17B10
Doxycycline Anhydrous SCHEMBL17747966	0.99	TDP1 (0.69)	TDP1KDM4EL3MBTL1USP2HSD17B10

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20120088739-A1	METHOD FOR TREATING MEIBOMIAN GLAND DISEASE	THE UNIVERSITY OF MIAMI (US)	2012-04-12	—	—	US	disclosed
US-20110039805-A1	METHOD FOR TREATING MEIBOMIAN GLAND DISEASE	THE UNIVERSITY OF MIAMI (US)	2011-02-17	—	—	US	disclosed
EP-1676579-B1	Use of sub-antimicrobial tetracyclines for treating ocular rosacea	UNIV MIAMI (US)	2008-12-31	—	—	EP	disclosed
US-20080214510-A1	Methods and compositions for treating meibomian gland disease	PFLUGFELDER STEPHEN C	2008-09-04	—	—	US	disclosed
WO-2008045176-A1	USE OF TETRACYCLINE TO TREAT LYMPHANGIOLEIOMYOMATOSIS (LAM)	UNIVERSITY OF MIAMI (US)	2008-04-17	—	—	WO	disclosed
US-20060154901-A1	Methods for treating ocular rosacea	PFLUGFELDER STEPHEN C	2006-07-13	—	—	US	disclosed
EP-1676579-A2	Use of sub-antimicrobial tetracyclines for treating ocular rosacea	THE UNIVERSITY OF MIAMI (US)	2006-07-05	—	—	EP	disclosed
EP-1075265-B1	USE OF TETRACYCLINES FOR TREATING MEIBOMIAN GLAND DISEASE	UNIV MIAMI (US)	2006-03-08	—	—	EP	disclosed
US-20030114426-A1	Method for treating meibomian gland disease	PFLUGFELDER STEPHEN C (US)	2003-06-19	—	—	US	disclosed
US-6455583-B1	TEAR DEFICIENCY, DELAYED TEAR CLEARANCE OR RECURRENT CORNEAL EPITHELIAL ERORSION BY ORALLY OR TOPICALLY ADMINISTERING A NON-ANTIMICROBIAL AMOUNT OF TETRACYCLINE TO AN EYE OF THE PATIENT TO DECREASE INFLAMMATION	THE UNIVERSITY OF MIAMI	2002-09-24	—	—	US	disclosed
EP-1075265-A1	USE OF TETRACYCLINES FOR TREATING MEIBOMIAN GLAND DISEASE	THE UNIVERSITY OF MIAMI (US)	2001-02-14	—	—	EP	disclosed
WO-1999058131-A1	USE OF TETRACYCLINES FOR TREATING MEIBOMIAN GLAND DISEASE	UNIVERSITY OF MIAMI (US)	1999-11-18	—	—	WO	disclosed