SCHEMBL6956276

SCHEMBL6956276

O=C(O)CC(NC(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.65
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
HPGD P15428 1/20 0.54
UTS2R Q9UKP6 2/20 0.53
LMNA P02545 1/20 0.53
CNR1 P21554 1/20 0.53
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 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
SCHEMBL27558113 1.00 CNR2 (0.65) CNR2KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL28760324 1.00 CNR2 (0.65) CNR2KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL6953151 0.90 KMT2A (0.71) CNR2KMT2AUTS2RLMNACNR1
SCHEMBL6638460 0.86 ITGB3 (0.57) CNR2SMN1; SMN2HTTHPGDLMNA
SCHEMBL14037327 0.86 ITGB3 (0.57) CNR2SMN1; SMN2HTTHPGDLMNA
SCHEMBL6983179 0.86 KMT2A (0.54) CNR2KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5573085 0.85 NR1H4 (0.56) CNR2KMT2ASMN1; SMN2ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL4022994 0.85 ITGB3 (0.56) CNR2SMN1; SMN2HTTHPGDLMNA
Ammonia Solution, Strong SCHEMBL27572931 0.85 ITGB3 (0.56) CNR2SMN1; SMN2HTTHPGDLMNA
SCHEMBL6827881 0.84 ITGB3 (0.62) CNR2SMN1; SMN2ALDH1A1HTTNCOA1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1347873-A (R)-beta-phenylacetylamino-beta-phenylpropionic acid compounds UNIV SHENYANG PHARMACY (CN) 2002-05-08 CN claimed
EP-1624052-B1 Process for the production of beta-amino acids with the use of acylase AJINOMOTO KK (JP) 2015-05-27 EP disclosed
CN-1928102-B Resolution method of beta-amino acid ASTATECH CHENGDU PHARMACEUTIACL CO LTD 2011-08-10 CN disclosed
US-7833760-B2 Process for the production of β-amino acids using acylase AJINOMOTO CO., INC. (JP) 2010-11-16 US disclosed
US-20090258398-A1 Process for the Production of beta-Amino Acids Using Acylase NAKAMATSU TSUYOSHI 2009-10-15 US disclosed
US-20090258398-A1 Process for the Production of beta-Amino Acids Using Acylase NAKAMATSU TSUYOSHI 2009-10-15 US disclosed
US-7351571-B2 Process for the production of β-amino acids using acylase AJINOMOTO CO., INC. (JP) 2008-04-01 US disclosed
CN-1928102-A Resolution method of beta-amino acid ASTATECH CHENGDU PHARMACEUTIAC (CN) 2007-03-14 CN disclosed
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
CN-1347873-A (R)-beta-phenylacetylamino-beta-phenylpropionic acid compounds UNIV SHENYANG PHARMACY (CN) 2002-05-08 CN disclosed
CN-1347873-A (R)-beta-phenylacetylamino-beta-phenylpropionic acid compounds UNIV SHENYANG PHARMACY (CN) 2002-05-08 CN disclosed
CN-1347873-A (R)-beta-phenylacetylamino-beta-phenylpropionic acid compounds UNIV SHENYANG PHARMACY (CN) 2002-05-08 CN disclosed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP disclosed
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed