SCHEMBL6746043

SCHEMBL6746043

O=C(c1ccc(Cl)cc1)c1ccc(O)c(O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
CNR1 P21554 4/20 0.62
CNR2 P34972 3/20 0.62
SIRT1 Q96EB6 1/20 0.59
SRD5A2 P31213 1/20 0.57
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
KDM4E B2RXH2 2/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
GAA P10253 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
PTGS2 P35354 1/20 0.54

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
SCHEMBL30006432 1.00 MAPK1 (0.63) MAPK1CNR1CNR2SIRT1SRD5A2
SCHEMBL1758192 0.87 CA12 (0.68) SIRT1KDM4ECA12CA1CA2
SCHEMBL5476111 0.83 MAPT (0.68) MAPK1SIRT1SRD5A2KDM4ECA12
SCHEMBL15851085 0.82 HSD17B1 (0.58) MAPK1CNR1CNR2SIRT1SRD5A2
SCHEMBL6743875 0.82 PARP1 (0.53) CNR1CNR2SIRT1HSD17B1HSD17B2
SCHEMBL9065412 0.82 SRD5A2 (0.80) MAPK1CNR1CNR2SRD5A2KDM4E
SCHEMBL10697158 0.82 SRD5A2 (0.80) MAPK1CNR1CNR2SRD5A2KDM4E
SCHEMBL51827 0.82 SRD5A2 (0.80) MAPK1CNR1CNR2SRD5A2KDM4E
SCHEMBL6744294 0.82 SRD5A2 (0.63) SIRT1SRD5A2HSD17B1HSD17B2KDM4E
SCHEMBL1681512 0.82 SRD5A2 (0.80) MAPK1CNR1CNR2SRD5A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759367-B2 COMPRISING THERMOSENSITIVE ELEMENT AND SUPPORT, THE THERMOSENSITIVE ELEMENT CONTAINING A SUBSTANTIALLY LIGHT-INSENSITIVE ORGANIC SILVER SALT, A 3,4-DIHYDROXYBENZENE COMPOUND, A BINDER AGFA-GEVAERT (BE) 2004-07-06 US claimed
US-20030054958-A1 Thermographic recording material with improved print archivability without loss in printability AGFA-GEVAERT (BE) 2003-03-20 US claimed
EP-1245404-A1 Thermographic recording material providing prints with good image density and tone having improved archivability Agfa-Gevaert (BE) 2002-10-02 EP claimed
CN-115947669-A Biomimetic synthetic amino acid surfactant and preparation method thereof 成都初速率生物科技有限公司 2023-04-11 CN disclosed
US-6759367-B2 COMPRISING THERMOSENSITIVE ELEMENT AND SUPPORT, THE THERMOSENSITIVE ELEMENT CONTAINING A SUBSTANTIALLY LIGHT-INSENSITIVE ORGANIC SILVER SALT, A 3,4-DIHYDROXYBENZENE COMPOUND, A BINDER AGFA-GEVAERT (BE) 2004-07-06 US disclosed
US-6693062-B2 LIGHT INSENSITIVE ORGANIC SILVER SALTS, REDUCING AGENTS AND 1,2-DIHYDROXYBENZENE DERIVATIVE AGFA-GEVAERT (BE) 2004-02-17 US disclosed
US-20030054958-A1 Thermographic recording material with improved print archivability without loss in printability AGFA-GEVAERT (BE) 2003-03-20 US disclosed
EP-1245404-A1 Thermographic recording material providing prints with good image density and tone having improved archivability Agfa-Gevaert (BE) 2002-10-02 EP disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP disclosed