SCHEMBL3786487

SCHEMBL3786487

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
HDAC1 Q13547 1/20 0.50
CYP2C19 P33261 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ACE P12821 1/20 0.48
KDM4E B2RXH2 3/20 0.48
AKT1 P31749 2/20 0.48
ALOX12 P18054 2/20 0.48

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
SCHEMBL15884467 0.86 ALDH1A1 (0.59) HDAC2HDAC8HDAC6CYP2C19POLB
SCHEMBL6180339 0.84 CA12 (0.52) HDAC8HDAC6CA12CA1CA7
SCHEMBL3786569 0.82 HDAC1 (0.53) HDAC6HTTHDAC1GAAALDH1A1
SCHEMBL1261932 0.81 SYK (0.50) CA12CA1CA7CA14MAPT
SCHEMBL27966342 0.79 SYK (0.48) CA12CA1CA7CA14MAPT
SCHEMBL20597404 0.79 HDAC2 (0.73) HDAC2HDAC8HDAC6MAPTHTT
SCHEMBL2246416 0.79 ATM (0.56) CA12CA1CA7CA14MAPT
SCHEMBL3786555 0.79 TDP1 (0.50) CA12CA1CA7CA14ALDH1A1
SCHEMBL1380801 0.78 TDP1 (0.61) HDAC2HDAC8HDAC6MAPTHTT
SCHEMBL10592370 0.78 HDAC2 (0.61) HDAC2HDAC8HDAC6CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102775471-B Method for synthesizing cholecystokinin octapeptide by combining solid phase method and liquid phase method GL BIOCHEM SHANGHAI CO LTD 2013-10-30 CN claimed
CN-102775471-A Method for synthesizing cholecystokinin octapeptide by combining solid phase method and liquid phase method GL BIOCHEM SHANGHAI CO LTD 2012-11-14 CN claimed
CN-114174312-A Air-stable Ni (0) -olefin complexes and their use as catalysts or precatalysts 科勒研究有限公司 2022-03-11 CN disclosed
CN-103626845-B As the aryl of glycogen phosphorylase inhibitors and pyrroles-2-methane amide dipeptidase derivant, its preparation method and medicinal use CHENGDE MEDICAL UNIVERSITY (CN) 2015-11-11 CN disclosed
CN-103626845-A Arylpyrrole-2-formamide dipeptide derivatives serving as glycogen phosphorylase inhibitor and preparation method and medical application thereof CHENGDE MEDICAL UNIVERSITY 2014-03-12 CN disclosed
WO-2010024762-A1 PREPARATION OF β-PHENYL-ISOSERINE DERIVATIVES ORGANOCLICK AKTIEBOLAG (SE) 2010-03-04 WO disclosed