SCHEMBL7121824

SCHEMBL7121824

C=CCOS(=O)c1ccc(O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.43
XDH P47989 2/20 0.41
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
RGS12 O14924 1/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
GNAI1 P63096 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL28788806 0.74 RECQL (0.47) KDM4EMAPTHPGDHSD17B10TDP1
SCHEMBL9858697 0.73 CYP3A4 (0.44) KDM4EGAAMAPTHPGDTSHR
SCHEMBL29509997 0.66 MAPT (0.53) APPXDHGAAMAPTHPGD
SCHEMBL18629446 0.65 APP (0.42) APPKDM4EGAAMAPTHPGD
SCHEMBL2972468 0.64 CA12 (0.62) APPXDHKDM4EGAAMAPT
SCHEMBL7114562 0.63 SERPINE1 (0.46) APPXDHPOLBHSD17B10ALDH1A1
SCHEMBL6707110 0.62 MAOB (0.50) APPXDHKDM4EGAAMAPT
SCHEMBL8526723 0.60 APP (1.00) APPKDM4EMAPTHPGDTSHR
SCHEMBL20942195 0.60 APP (1.00) APPKDM4EMAPTHPGDTSHR
SCHEMBL30448943 0.60 APP (1.00) APPKDM4EMAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903625-B1 Thermographic recording materials AGFA GEVAERT (BE) 2003-05-14 EP claimed
EP-0903625-A1 Novel reducing agents for use in thermographic recording materials AGFA-GEVAERT N.V. (BE) 1999-03-24 EP claimed
EP-0903625-B1 Thermographic recording materials AGFA GEVAERT (BE) 2003-05-14 EP disclosed
US-6093528-A BLACK AND WHITE LIGHT-INSENSITIVE THERMOGRAPHIC RECORDING MATERIALS COMPRISING INSENSITIVE ORGANIC SILVER SALT AND 1,2-DIHYDROXYPHENYL REDUCING AGENT; IMPROVED PHOTOSTABILITY, ARCHIVABILITY, COLOR NEUTRALITY AND PRINT AGFA-GEVAERT (BE) 2000-07-25 US disclosed
EP-0903625-A1 Novel reducing agents for use in thermographic recording materials AGFA-GEVAERT N.V. (BE) 1999-03-24 EP disclosed