SCHEMBL30852229

SCHEMBL30852229

COc1cccc(C(=O)O)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.60
CASP7 P55210 1/20 0.60
CASP6 P55212 1/20 0.60
HTT P42858 1/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 5/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 3/20 0.51
KMT2A Q03164 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
CTSD P07339 1/20 0.49
MAPK1 P28482 1/20 0.47

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
SCHEMBL148830 1.00 G6PD (0.60) G6PDCASP7CASP6HTTCA12
SCHEMBL18012683 0.85 CA12 (0.48) G6PDCASP7CASP6HTTCA12
SCHEMBL29665304 0.85 LMNA (0.51) HTTCA12CA1CA2CA7
SCHEMBL587109 0.85 LMNA (0.51) HTTCA12CA1CA2CA7
SCHEMBL165834 0.85 HTT (0.49) HTTCA12CA1CA2CA7
SCHEMBL8796888 0.84 CA12 (0.58) G6PDCASP7CASP6HTTCA12
SCHEMBL17258267 0.84 HTT (0.54) G6PDCASP7CASP6HTTCA12
SCHEMBL7716207 0.84 G6PD (0.59) G6PDCASP7CASP6HTTCA12
SCHEMBL30314458 0.84 G6PD (0.59) G6PDCASP7CASP6HTTCA12
Methoxymethane SCHEMBL5903652 0.84 G6PD (0.63) G6PDCASP7CASP6HTTCA12

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
EP-4587116-A2 METHODS AND USES OF MICROBIOME COMPOSITIONS, COMPONENTS, OR METABOLITES FOR TREATING INSULIN-ASSOCIATED DISEASES MarvelBiome, Inc. (US) 2025-07-23 EP disclosed
WO-2024058984-A2 METHODS AND USES OF MICROBIOME COMPOSITIONS, COMPONENTS, OR METABOLITES FOR TREATING INSULIN-ASSOCIATED DISEASES MarvelBiome, Inc. (US) 2024-03-21 WO disclosed