SCHEMBL11089200

SCHEMBL11089200

O=C(NCCOCCO)c1ccc(O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.49
▸ CA2 P00918 5/20 0.47
▸ TOP1 P11387 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TERT O14746 1/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ XDH P47989 2/20 0.44
▸ CA12 O43570 1/20 0.44

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
SCHEMBL5924224 0.87 SMN1; SMN2 (0.48) SMN1; SMN2CA2HPGDPOLBHTT
SCHEMBL11092370 0.84 HPGD (0.62) HDAC6CA2TOP1HPGDPOLB
SCHEMBL11425652 0.83 SMN1; SMN2 (0.65) SMN1; SMN2HDAC6HPGDPOLBHTT
SCHEMBL11092140 0.83 HPGD (0.65) SMN1; SMN2HDAC6CA2TOP1HPGD
SCHEMBL11089847 0.81 CDK1 (0.56) SMN1; SMN2HDAC6TOP1HPGDPOLB
SCHEMBL3543118 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CA2HPGDPOLBHTT
SCHEMBL24440484 0.79 HDAC6 (0.60) SMN1; SMN2HDAC6CA2TOP1POLB
SCHEMBL29633482 0.79 HDAC6 (0.60) SMN1; SMN2HDAC6CA2TOP1POLB
SCHEMBL5656002 0.78 SMN1; SMN2 (0.58) SMN1; SMN2HDAC6CA2
SCHEMBL11089138 0.78 POLB (0.56) HDAC6TOP1HPGDPOLBHTT

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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