Doxycycline Anhydrous

SCHEMBL11417256

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.O.O.O

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	0.70

▸	MMP8 known ✓	P22894	1/20	0.70

▸	MMP13 known ✓	P45452	1/20	0.70

▸	MMP2	P08253	1/20	0.70

▸	MMP3	P08254	1/20	0.70

▸	ADORA1	P30542	1/20	0.70

▸	ADRA1A	P35348	1/20	0.70

▸	TDP1	Q9NUW8	10/20	0.69

▸	USP2	O75604	6/20	0.69

▸	HSD17B10	Q99714	6/20	0.69

▸	HIF1A	Q16665	3/20	0.69

▸	TSHR	P16473	1/20	0.69

▸	KDM4E	B2RXH2	9/20	0.68

▸	L3MBTL1	Q9Y468	7/20	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 SCHEMBL3155	1.00	MMP2 (0.70)	MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL29545414	1.00	MMP2 (0.70)	MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL41884	1.00	MMP2 (0.70)	MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL2221981	1.00	MMP2 (0.70)	MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL11417262	1.00	MMP2 (0.70)	MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL3680869	1.00	MMP2 (0.70)	MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL41883	1.00	MMP2 (0.70)	MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL28250743	1.00	MMP2 (0.70)	MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL8683380	1.00	MMP2 (0.70)	MMP2MMP3MMP7MMP8ADORA1
Doxycycline Anhydrous SCHEMBL497163	0.99	TDP1 (0.69)	MMP2MMP3MMP7MMP8ADORA1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-4220152-A	Delivery system	PFIZER INC. (US)	1980-09-02	—	—	US	disclosed
US-4220153-A	Controlled release delivery system	PFIZER INC. (US)	1980-09-02	—	—	US	disclosed