SCHEMBL9559416

SCHEMBL9559416

CC(CC(=O)O)C(=O)c1ccc2c(c1)NCC(=O)C2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.32
▸ ITGA2B P08514 6/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ ITGA2 P17301 1/20 0.31

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
SCHEMBL11321136 0.73 MAPT (0.50) HDAC6CRBN
Hydrochloric Acid SCHEMBL11334584 0.72 MAPT (0.49) ITGB3ITGA2BHDAC6CRBNITGA2
SCHEMBL7343586 0.72 TDP2 (0.34) CRBN
SCHEMBL27362455 0.72 TDP2 (0.34) CRBN
SCHEMBL7699711 0.72 ALDH1A1 (0.51) —
SCHEMBL11334467 0.71 KDM4E (0.62) —
SCHEMBL31117282 0.71 CRBN (0.47) HDAC6CRBN
SCHEMBL10353455 0.71 HDAC3 (0.49) ITGB3ITGA2BHDAC6
SCHEMBL10835859 0.70 IP6K1 (0.46) —
SCHEMBL7338777 0.70 ALDH1A1 (0.47) —

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-0515668-A4 OXO-TETRAHYDROPYRIDAZINYL-PYRAZOLO 4,3-B)-1,4-BENZOXAZINES — 1993-03-10 — — EP disclosed
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