SCHEMBL5315829

SCHEMBL5315829

CCc1oc(C)cc(=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
PTGS1 P23219 5/20 0.44
PTGS2 P35354 5/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP3 P08254 4/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL8397201 0.85 MMP2 (0.47) MMP2PTGS1PTGS2KDM4EPOLB
SCHEMBL2120661 0.84 MMP2 (0.49) MMP2PTGS1PTGS2KDM4EPOLB
SCHEMBL9625177 0.82 MMP2 (0.45) MMP2PTGS1PTGS2KDM4EPOLB
SCHEMBL21173459 0.82 KDM4E (0.44) MMP2PTGS1KDM4EPOLBL3MBTL1
SCHEMBL9625193 0.81 MMP2 (0.47) MMP2PTGS1PTGS2KDM4EPOLB
SCHEMBL8399916 0.80 MMP2 (0.44) MMP2PTGS1PTGS2KDM4EPOLB
SCHEMBL13439135 0.79 MMP2 (0.46) MMP2PTGS1PTGS2KDM4EPOLB
SCHEMBL10902995 0.79 BCL2 (0.55) MMP2PTGS1PTGS2KDM4EPOLB
SCHEMBL9625165 0.79 MMP2 (0.43) MMP2PTGS1PTGS2KDM4EPOLB
Hydrochloric Acid SCHEMBL8398537 0.78 KDM4E (0.45) MMP2PTGS1PTGS2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110839941-B Pyrone-rich tobacco extract and preparation method thereof 河南中烟工业有限责任公司 2022-04-19 CN claimed
EP-0473764-A1 METAL COMPLEXES Hider, Robert Charles (GB) 1992-03-11 EP claimed
WO-1991014664-A1 METAL COMPLEXES HIDER ROBERT CHARLES (GB) 1991-10-03 WO claimed
US-4082717-A OXIDATION, HYDROLYSIS PFIZER INC. (US) 1978-04-04 US claimed
CN-110839941-B Pyrone-rich tobacco extract and preparation method thereof 河南中烟工业有限责任公司 2022-04-19 CN disclosed
CN-110839941-A Pyrone-rich tobacco extract and preparation method thereof 河南中烟工业有限责任公司 2020-02-28 CN disclosed
WO-2007068053-A1 RECOMBINANT PROTEIN PRODUCTION GROPEP LIMITED (AU) 2007-06-21 WO disclosed
EP-0473764-A1 METAL COMPLEXES Hider, Robert Charles (GB) 1992-03-11 EP disclosed
WO-1991014664-A1 METAL COMPLEXES HIDER ROBERT CHARLES (GB) 1991-10-03 WO disclosed
US-4608367-A γ-Pyrone phosphoric ester derivatives and insecticidal and miticidal compositions thereof OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1986-08-26 US disclosed
US-4435584-A HYDROLYSIS OF HALOPYRONE ETHERS PFIZER INC. (US) 1984-03-06 US disclosed
US-4387235-A ORGANOLEPTIC PFIZER INC. (US) 1983-06-07 US disclosed
US-4368331-A ORGANOLEPTIC AGENTS PFIZER INC. (US) 1983-01-11 US disclosed
US-4323506-A Preparation of gamma-pyrones PFIZER INC. (US) 1982-04-06 US disclosed
US-4289704-A CHLORINATION OR BROMINATION IN AN INERT SOLVENT PFIZER INC. (US) 1981-09-15 US disclosed
US-4147705-A A FURFURYL ALCOHOL, HALOGEN OXIDANT PFIZER INC. (US) 1979-04-03 US disclosed
US-4082717-A OXIDATION, HYDROLYSIS PFIZER INC. (US) 1978-04-04 US disclosed