SCHEMBL24465200

SCHEMBL24465200

CC(CN)NC(=O)C(CC=O)NC(=O)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GRIA1 P42261 1/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16908173 0.81 MMP2 (0.49) GRIA1ITGB3ITGA2BHDAC2HDAC8
SCHEMBL24114487 0.81 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AHDAC2HDAC8HDAC6
SCHEMBL18759290 0.81 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AHDAC2HDAC8HDAC6
SCHEMBL24114462 0.81 PSMB5 (0.46) SMN1; SMN2GRIA1ITGB3ITGA2BMEN1
SCHEMBL18759285 0.81 PSMB5 (0.46) SMN1; SMN2GRIA1ITGB3ITGA2BMEN1
SCHEMBL18759659 0.80 CTSS (0.45) SMN1; SMN2
SCHEMBL24114400 0.74 CTSS (0.51) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL31174580 0.73 SMN1; SMN2 (0.68) SMN1; SMN2ITGB3ITGA2BHDAC2HDAC8
SCHEMBL24130642 0.73 ITGB3 (0.50) ITGB3ITGA2BRAB9AHDAC2HDAC8
SCHEMBL24130644 0.73 ITGB3 (0.50) ITGB3ITGA2BRAB9AHDAC2HDAC8

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-4006012-A1 PROTEASOME INHIBITORS AND USES THEREOF Cornell University (US) 2022-06-01 — — EP disclosed
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