SCHEMBL29532206

SCHEMBL29532206

Cc1cc(=O)[nH]c2cc(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 1.00
▸ GAA P10253 5/20 1.00
▸ GLA P06280 4/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ HPGD P15428 3/20 1.00
▸ TP53 P04637 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ TNKS2 Q9H2K2 9/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ TNKS O95271 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ AR P10275 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ GLI1 P08151 1/20 0.47
▸ GLI2 P10070 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ AKR1B1 P15121 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
SCHEMBL592109 1.00 KDM4E (1.00) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL14978967 0.87 KDM4E (0.77) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL11097088 0.85 GAA (0.73) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL22461494 0.82 KDM4E (0.69) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL12668286 0.80 ALDH1A1 (0.67) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL2795205 0.80 KDM4E (0.67) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL8581212 0.79 KDM4E (0.66) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL8064223 0.77 KDM4E (0.62) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL13264599 0.77 KDM4E (0.62) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL2798886 0.77 KDM4E (0.62) KDM4EGAAGLAALDH1A1HPGD

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
EP-3997462-A1 ASSAYS FOR IMPROVING AUTOMATED ANTIMICROBIAL SUSCEPTIBILITY TESTING ACCURACY Selux Diagnostics Inc. (US) 2022-05-18 — — EP disclosed
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