SCHEMBL7540568

SCHEMBL7540568

COc1ccc(C(=O)O)c(O)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.68
POLB P06746 2/20 0.68
NNMT P40261 2/20 0.51
MAPT P10636 1/20 0.44
SORT1 Q99523 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
PABPC1 P11940 1/20 0.40
RAB9A P51151 2/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
NPC1 O15118 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL9040184 0.83 TDP1 (0.66) TDP1POLBNNMTMAPTSORT1
SCHEMBL29859234 0.81 TDP1 (1.00) TDP1POLBNNMTMAPTSORT1
SCHEMBL7901086 0.81 TDP1 (0.68) TDP1POLBNNMTMAPTSORT1
SCHEMBL29774201 0.81 TDP1 (0.68) TDP1POLBNNMTMAPTSORT1
SCHEMBL198490 0.81 TDP1 (1.00) TDP1POLBNNMTMAPTSORT1
SCHEMBL838850 0.81 NNMT (0.71) TDP1POLBNNMTMAPTSORT1
SCHEMBL21339634 0.79 TDP1 (0.66) TDP1POLBNNMTMAPTSORT1
SCHEMBL30940155 0.79 TDP1 (0.66) TDP1POLBNNMTMAPTSORT1
Hydrochloric Acid SCHEMBL10988320 0.79 TDP1 (0.96) TDP1POLBNNMTMAPTSORT1
SCHEMBL1300585 0.79 TDP1 (0.66) TDP1POLBNNMTMAPTSORT1

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-2002029021-A2 BIOTECHNOLOGICAL METHOD FOR PREPARING CARBOXYLIC ACIDS WITH A HYDROXY-NITROGEN HETEROCYCLE LONZA AG (CH) 2002-04-11 WO disclosed