SCHEMBL9545054

SCHEMBL9545054

Cc1c(CCC(=O)O)c(=O)oc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ GLA P06280 1/20 0.69
▸ GAA P10253 1/20 0.69
▸ HPGD P15428 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ CASP1 P29466 1/20 0.69
▸ CASP7 P55210 1/20 0.69
▸ POLB P06746 5/20 0.61
▸ MAPT P10636 3/20 0.61
▸ PSMB8 P28062 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ CTDSP1 Q9GZU7 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ MIF P14174 1/20 0.57
▸ TNF P01375 1/20 0.56
▸ NOD2 Q9HC29 1/20 0.56

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
SCHEMBL307859 0.85 CA12 (0.60) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL1649087 0.84 NQO1 (0.67) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL7023152 0.82 KDM4E (1.00) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL28332534 0.81 HSD17B3 (0.64) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL7576024 0.81 KDM4E (0.74) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL7797760 0.78 KDM4E (0.71) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL15842922 0.78 KDM4E (0.54) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL12204222 0.77 KDM4E (0.70) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL22501555 0.77 SRC (0.74) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL20553869 0.77 NPC1 (0.76) KDM4EHSD17B10ALDH1A1GLAGAA

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-1993011432-A1 REAGENT SYSTEM AND METHOD OF ANALYSIS GEC-MARCONI LIMITED (GB) 1993-06-10 — — WO disclosed
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