SCHEMBL23628555

SCHEMBL23628555

Cc1cccc(C(=O)O)c1OC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.64
▸ HPGD P15428 4/20 0.64
▸ HSD17B10 Q99714 4/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ MAPK1 P28482 1/20 0.44
▸ MYC P01106 2/20 0.42
▸ ELANE P08246 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ NAPRT Q6XQN6 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ AKR1B10 O60218 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
SCHEMBL29489261 0.88 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1ELANE
SCHEMBL15867195 0.88 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1ELANE
SCHEMBL2761277 0.87 ELANE (0.49) KDM4EHPGDHSD17B10ALDH1A1ELANE
SCHEMBL23628554 0.80 KDM4E (0.40) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL6058719 0.79 KDM4E (0.66) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL27281232 0.79 ELANE (0.42) KDM4EHPGDHSD17B10ALDH1A1ELANE
SCHEMBL1315833 0.78 KDM4E (1.00) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL29760302 0.78 KDM4E (1.00) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL1606328 0.78 ALDH1A1 (0.58) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL28317244 0.76 ALDH1A1 (0.71) KDM4EHPGDHSD17B10ALDH1A1MAPK1

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-3978488-A1 ZINC CHELATING COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Universitetet I Oslo (NO) 2022-04-06 — — EP disclosed
EP-3497095-B1 ZINC CHELATING COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL INFECTION UNIV OSLO (NO) 2021-07-14 — — EP disclosed
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