SCHEMBL8428351

SCHEMBL8428351

O=C1CC(CC(=O)Sc2ccccc2)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.53
ITGA5 P08648 2/20 0.53
ITGB3 P05106 1/20 0.53
ITGB2 P05107 1/20 0.53
ITGAV P06756 1/20 0.53
ITGA2B P08514 1/20 0.53
ITGB5 P18084 1/20 0.53
ITGAL P20701 1/20 0.53
CREBBP Q92793 2/20 0.40
BRD4 O60885 1/20 0.40
CTSD P07339 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8428350 1.00 ITGB1 (0.53) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL9782613 0.75 ITGB1 (0.58) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL6968272 0.73 CRBN (0.51) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL6960972 0.73 CRBN (0.51) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL11212045 0.70
SCHEMBL11032630 0.70
SCHEMBL7385157 0.70 HDAC8 (0.47) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL7385153 0.70 HDAC8 (0.47) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL26939348 0.69 FFAR1 (0.50) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL11203745 0.69 GLA (0.59) ITGB1ITGA5ITGB3ITGB2ITGAV

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
US-5856556-A Azetidinone derivatives, a process for their preparation and their use as intermediates in the preparation of carbapenem antibiotics SANKYO COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0102239-B1 AZETIDINONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF CARBAPENEM ANTIBIOTICS SANKYO COMPANY LIMITED (JP) 1987-10-14 EP disclosed
EP-0102239-A1 Azetidinone derivatives, a process for their preparation and their use as intermediates in the preparation of carbapenem antibiotics SANKYO COMPANY LIMITED (JP) 1984-03-07 EP disclosed