Gallic Acid

Gallic Acid

SCHEMBL7539623

CCCCc1c(CCC)ccc(OC)c1O.O=C(O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
ALOX5 P09917 5/20 0.47
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
PKM P14618 1/20 0.42
TPMT P51580 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 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
Gallic Acid SCHEMBL2216125 0.81 PTGS2 (0.64) PTGS2ALOX5CA12CA1CA2
SCHEMBL292318 0.80 ALOX5 (0.57) PTGS2ALOX5
SCHEMBL5676413 0.77 PRKCI (0.39) ALOX5ALDH1A1LMNAMAPTHPGD
SCHEMBL27946446 0.74 CA12 (0.55) PTGS2ALOX5CA12CA1CA2
SCHEMBL5676396 0.73 ALOX5 (0.41) PTGS2ALOX5
SCHEMBL11803143 0.73 HPGD (0.60) PTGS2CA12CA1CA2CA3
SCHEMBL5586648 0.72 TYR (0.40) PTGS2ALOX5MAPTHSD17B10
Gallic Acid SCHEMBL28281690 0.72 KDM4E (0.71) PTGS2CA12CA1CA2CA3
SCHEMBL3547229 0.72 CA12 (0.66) PTGS2ALOX5CA12CA1CA2
SCHEMBL29452317 0.72 HMGCR (0.47) PTGS2ALOX5KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1205525-A1 WATER LEAKAGE PREVENTIVE AGENT, WATER LEAKAGE PREVENTIVE MATERIAL MADE WITH THE SAME, AND METHOD OF PREVENTING WATER LEAKAGE Nippon Kayaku Kabushiki Kaisha (JP) 2002-05-15 EP disclosed