SCHEMBL9119040

SCHEMBL9119040

Nc1c(O)cccc1C(=O)O.Oc1cccc2cc[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.65
CASP7 P55210 1/20 0.65
CASP6 P55212 1/20 0.65
KEAP1 Q14145 1/20 0.64
PDPK1 O15530 1/20 0.54
KDM4E B2RXH2 2/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 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
SCHEMBL29430959 0.80 CASP7 (1.00) G6PDCASP7CASP6KDM4EHIF1A
SCHEMBL30477210 0.80 CASP7 (1.00) G6PDCASP7CASP6KDM4EHIF1A
SCHEMBL21114369 0.80 CASP7 (1.00) G6PDCASP7CASP6KDM4EHIF1A
SCHEMBL88229 0.80 CASP7 (1.00) G6PDCASP7CASP6KDM4EHIF1A
Acetic Acid SCHEMBL23646036 0.79 KEAP1 (0.58) KEAP1PDPK1KDM4EALDH1A1CA12
SCHEMBL336234 0.79 KEAP1 (1.00) KEAP1PDPK1KDM4EALDH1A1HPGD
SCHEMBL29696550 0.79 KEAP1 (1.00) KEAP1PDPK1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL8584593 0.79 CASP7 (0.96) G6PDCASP7CASP6KDM4EHIF1A
Bromide SCHEMBL1026209 0.79 CASP7 (0.96) G6PDCASP7CASP6KDM4EHIF1A
SCHEMBL29617963 0.79 AHR (0.56) KEAP1PDPK1KDM4ETDP1ALDH1A1

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
WO-1995034658-A1 MICROBIAL PRODUCTION OF INDOLE-3-ACETIC ACIDS AND SUBSTITUTED ANALOGS THEREOF VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 WO disclosed