SCHEMBL19615906

SCHEMBL19615906

COC(=O)c1ccc(OC)c(O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
ALOX15 P16050 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
MYC P01106 2/20 0.45

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
SCHEMBL856059 0.85 MAPT (0.59) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL11062650 0.85 KDM4E (0.47) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL31335961 0.83 MAPT (0.62) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL57368 0.83 MAPT (0.62) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL28855172 0.83 CA12 (0.41) MAPTKDM4EHSD17B10LMNATDP1
SCHEMBL24136599 0.81 LMNA (0.55) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL30466421 0.81 LMNA (0.55) MAPTKDM4EMAPK1HSD17B10LMNA
SCHEMBL3761829 0.81 CA12 (0.53) MAPTKDM4EHSD17B10LMNATDP1
SCHEMBL30466430 0.81 CA12 (0.53) MAPTKDM4EHSD17B10LMNATDP1
SCHEMBL22219653 0.80 GAA (0.50) MAPTKDM4EMAPK1HSD17B10LMNA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017199227-A1 PROCESS FOR PREPARATION OF 3,4-DIHYDROXY-2-METHYL BENZOIC ACID ALKYLESTER S & I OPHTHALMIC, LLC. (US) 2017-11-23 WO disclosed
WO-2017199227-A1 PROCESS FOR PREPARATION OF 3,4-DIHYDROXY-2-METHYL BENZOIC ACID ALKYLESTER S & I OPHTHALMIC, LLC. (US) 2017-11-23 WO disclosed