SCHEMBL30708253

SCHEMBL30708253

C[C@@H]1c2cccc(O)c2C(O)=C2C(=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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 11/20 1.00
USP2 O75604 6/20 1.00
HSD17B10 Q99714 6/20 1.00
HIF1A Q16665 3/20 1.00
TSHR P16473 1/20 1.00
KDM4E B2RXH2 10/20 0.98
L3MBTL1 Q9Y468 6/20 0.98
MMP2 P08253 1/20 0.98
MMP3 P08254 1/20 0.98
MMP7 P09237 1/20 0.98
MMP8 P22894 1/20 0.98
ADORA1 P30542 1/20 0.98
ADRA1A P35348 1/20 0.98
MMP13 P45452 1/20 0.98
RECQL P46063 8/20 0.90
PLA2G1B P04054 1/20 0.90
ATG4B Q9Y4P1 1/20 0.90
HPGD P15428 7/20 0.67
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL21793722 1.00 TDP1 (1.00) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL19270298 1.00 TDP1 (1.00) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL29388088 1.00 TDP1 (1.00) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL29800447 1.00 TDP1 (1.00) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL29399816 1.00 TDP1 (1.00) TDP1USP2HSD17B10HIF1ATSHR
Water SCHEMBL29358570 0.99 MMP2 (1.00) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL30973258 0.99 TDP1 (0.98) TDP1USP2HSD17B10HIF1ATSHR
Hydrochloric Acid SCHEMBL29763226 0.99 TDP1 (1.00) TDP1USP2HSD17B10HIF1ATSHR
Hydrochloric Acid SCHEMBL30533349 0.99 TDP1 (1.00) TDP1USP2HSD17B10HIF1ATSHR
Alcohol SCHEMBL29362779 0.95 KDM4E (1.00) TDP1USP2HSD17B10HIF1ATSHR

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118759106-A Method for detecting doxycycline hydrochloride soluble powder content by liquid chromatography 杭州上昵生物医药研发有限公司 2024-10-11 CN disclosed
CN-118759106-A Method for detecting doxycycline hydrochloride soluble powder content by liquid chromatography 杭州上昵生物医药研发有限公司 2024-10-11 CN disclosed
CN-114028410-B Doxycycline hydrochloride solution and preparation method thereof 华南农业大学 2023-10-20 CN disclosed