SCHEMBL11092140

SCHEMBL11092140

COCCNC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.65
▸ ALDH1A1 P00352 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CA2 P00918 2/20 0.56
▸ XDH P47989 2/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA7 P43166 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ CA14 Q9ULX7 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.53
▸ TOP1 P11387 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ IARS1 P41252 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL12553807 0.86 HPGD (0.60) HPGDALDH1A1TP53MEN1KMT2A
SCHEMBL10029414 0.83 L3MBTL1 (0.58) HPGDALDH1A1CA2XDHCA12
SCHEMBL11089200 0.83 SMN1; SMN2 (0.51) HPGDCA2XDHCA12CA1
SCHEMBL24440484 0.82 HDAC6 (0.60) ALDH1A1CA2XDHCA12CA1
SCHEMBL29633482 0.82 HDAC6 (0.60) ALDH1A1CA2XDHCA12CA1
SCHEMBL15985474 0.81 HDAC6 (0.55) HPGDALDH1A1TP53CA2XDH
SCHEMBL4506194 0.81 ALDH1A1 (0.68) HPGDALDH1A1TP53CA2CA12
SCHEMBL11092370 0.81 HPGD (0.62) HPGDALDH1A1CA2CA12CA1
SCHEMBL18619400 0.81 HDAC6 (0.58) XDHHDAC6TOP1SMN1; SMN2
SCHEMBL11094551 0.80 ALDH1A1 (0.54) HPGDALDH1A1CA2XDHCA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045523-B1 ALPHA-SUBSTITUTED UREIDOBENZYLPENICILLANIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1984-12-05 — — EP disclosed
US-4355038-A BACTERICIDES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1982-10-19 — — US disclosed
EP-0045523-A1 Alpha-substituted ureidobenzylpenicillanic acid derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1982-02-10 — — EP disclosed
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