SCHEMBL10883284

SCHEMBL10883284

COc1ccc(C[C@H](NC(=O)CNC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
ATM Q13315 1/20 0.57
FPR2 P25090 1/20 0.57
HDAC8 Q9BY41 1/20 0.55
ITGB3 P05106 7/20 0.54
ITGA2B P08514 7/20 0.54
PTPN1 P18031 1/20 0.53
F2 P00734 1/20 0.52
GPR34 Q9UPC5 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
CTSL P07711 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52

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
SCHEMBL10886473 0.91 HDAC8 (0.53) KMT2AATMFPR2HDAC8F2
SCHEMBL330061 0.91 CTSL (0.55) ITGB3ITGA2BALDH1A1CTSLCTSS
SCHEMBL5486969 0.91 CTSL (0.55) ITGB3ITGA2BALDH1A1CTSLCTSS
SCHEMBL8976911 0.91 CTSL (0.55) ITGB3ITGA2BALDH1A1CTSLCTSS
SCHEMBL9800635 0.89 KMT2A (0.63) KMT2AATMFPR2HDAC8ITGB3
SCHEMBL19065242 0.89 GPR34 (0.58) HDAC8ITGB3ITGA2BPTPN1GPR34
SCHEMBL19065177 0.89 MME (0.56) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL13588070 0.89 MME (0.56) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL16485550 0.88 CTSL (0.53) ITGB3ITGA2BALDH1A1CTSLCTSS
SCHEMBL7044299 0.88 ATM (0.67) KMT2AATMFPR2HDAC8ITGB3

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-2484688-A1 PEPTIDE EPOXYKETONES FOR PROTEASOME INHIBITION Onyx Therapeutics, Inc. (US) 2012-08-08 EP disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed