SCHEMBL306867

SCHEMBL306867

Nc1c(O)cccc1C(=O)Oc1cccc(C(=O)O)c1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.71
G6PD P11413 1/20 0.71
CASP6 P55212 1/20 0.71
KDM4E B2RXH2 7/20 0.61
HSD17B10 Q99714 7/20 0.61
HPGD P15428 6/20 0.61
ALDH1A1 P00352 4/20 0.61
KMT2A Q03164 4/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
ESR1 P03372 6/20 0.46
ESR2 Q92731 5/20 0.46
MEN1 O00255 3/20 0.46
ALOX15 P16050 3/20 0.45
TDP1 Q9NUW8 3/20 0.44
HIF1A Q16665 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL21114369 0.84 CASP7 (1.00) CASP7G6PDCASP6KDM4EHSD17B10
SCHEMBL29430959 0.84 CASP7 (1.00) CASP7G6PDCASP6KDM4EHSD17B10
SCHEMBL88229 0.84 CASP7 (1.00) CASP7G6PDCASP6KDM4EHSD17B10
SCHEMBL30477210 0.84 CASP7 (1.00) CASP7G6PDCASP6KDM4EHSD17B10
Bromide SCHEMBL1026209 0.82 CASP7 (0.96) CASP7G6PDCASP6KDM4EHSD17B10
Hydrochloric Acid SCHEMBL8584593 0.82 CASP7 (0.96) CASP7G6PDCASP6KDM4EHSD17B10
SCHEMBL30852229 0.78 G6PD (0.60) CASP7G6PDCASP6KDM4EHSD17B10
SCHEMBL148830 0.78 G6PD (0.60) CASP7G6PDCASP6KDM4EHSD17B10
SCHEMBL7716207 0.77 G6PD (0.59) CASP7G6PDCASP6KDM4EHSD17B10
SCHEMBL30314458 0.77 G6PD (0.59) CASP7G6PDCASP6KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190214145-A1 Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen KUREK ITZHAK (US) 2019-07-11 US disclosed
US-8093346-B2 Method for producing an aminohydroxybenzoic acid-type compound AJINOMOTO CO., INC. (JP) 2012-01-10 US disclosed
US-20110137007-A1 METHOD FOR PRODUCING AN AMINOHYDROXYBENZOIC ACID-TYPE COMPOUND AJINOMOTO CO., INC. (JP) 2011-06-09 US disclosed
EP-2302066-A1 METHOD FOR PRODUCING AMINOHYDROXYBENZOIC ACID Ajinomoto Co., Inc. (JP) 2011-03-30 EP disclosed