SCHEMBL7798423

SCHEMBL7798423

O=C(O)c1cccc(C(=O)c2ccccc2O)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
HPGD P15428 5/20 0.65
KDM4E B2RXH2 4/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
HMGB1 P09429 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CA9 Q16790 1/20 0.65
NAPRT Q6XQN6 1/20 0.65
CA14 Q9ULX7 1/20 0.65
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 1/20 0.58
KMT2A Q03164 1/20 0.58
HNF4A P41235 1/20 0.53
GSTA1 P08263 2/20 0.53
HSD17B10 Q99714 3/20 0.52

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
SCHEMBL22938973 0.92 ALDH1A1 (0.65) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL9686287 0.89 SELL (0.66) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL7994342 0.88 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL301928 0.85 LIG1 (0.55) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL30740067 0.85 LIG1 (0.55) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL1334176 0.85 ALDH1A1 (0.74) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL8923910 0.84 KMT2A (0.68) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL11665831 0.83 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ECA12CA1
2,3-Dihydroxybenzoic Acid SCHEMBL28185287 0.83 ALDH1A1 (0.78) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL22938971 0.83 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ECA12CA1

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-0776262-B1 ROSIN-FREE, LOW VOC, NO-CLEAN SOLDERING FLUX AND METHOD USING THE SAME FRY METALS INC (US) 2001-12-05 EP disclosed
EP-0776262-A4 ROSIN-FREE, LOW VOC, NO-CLEAN SOLDERING FLUX AND METHOD USING THE SAME FRY METALS INC (US) 2000-01-26 EP disclosed
EP-0776262-A1 ROSIN-FREE, LOW VOC, NO-CLEAN SOLDERING FLUX AND METHOD USING THE SAME FRY'S METALS, INC. (US) 1997-06-04 EP disclosed
US-5571340-A CONSISTING OF AMINE-FREE CARBOXYLIC ACID ACTIVATORS AND VOLATILE ALKYLAMINES; PRINTED CIRCUITS FRY'S METALS, INC. (US) 1996-11-05 US disclosed
WO-1996007503-A1 ROSIN-FREE, LOW VOC, NO-CLEAN SOLDERING FLUX AND METHOD USING THE SAME FRY'S METALS, INC. (US) 1996-03-14 WO disclosed