SCHEMBL28288740

SCHEMBL28288740

COC(=O)C(CCC(=O)O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.40
GGH Q92820 1/20 0.40
KCNN4 O15554 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
FOLH1 Q04609 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39

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
SCHEMBL28600536 0.90 ALOX5 (0.46) MDM4MDM2KCNN4KMT2A
SCHEMBL16538739 0.87 ADAMTS4 (0.44) ADAMTS4ADAMTS5NAALAD2GGHGAA
SCHEMBL17929798 0.87 ADAMTS4 (0.44) ADAMTS4ADAMTS5NAALAD2GGHGAA
SCHEMBL28287518 0.85 KLK5 (0.39) MDM4MDM2KMT2A
SCHEMBL4627986 0.84 NAALAD2 (0.51) ADAMTS4ADAMTS5NAALAD2GGHGAA
SCHEMBL4627982 0.84 NAALAD2 (0.51) ADAMTS4ADAMTS5NAALAD2GGHGAA
SCHEMBL13726857 0.84 NAALAD2 (0.51) ADAMTS4ADAMTS5NAALAD2GGHGAA
SCHEMBL346218 0.83 ALDH1A1 (0.47) MDM4MDM2KCNN4KMT2A
SCHEMBL993145 0.83 ALDH1A1 (0.47) MDM4MDM2KCNN4KMT2A
SCHEMBL993439 0.83 ALDH1A1 (0.47) MDM4MDM2KCNN4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109516925-B Synthesis method of glutamic acid-1-methyl ester-5-tert-butyl ester 陕西慧康生物科技有限责任公司 2021-07-16 CN claimed
CN-109516925-A A kind of synthetic method of the glutamic acid -1- methyl esters -5- tert-butyl ester 陕西慧康生物科技有限责任公司 2019-03-26 CN claimed
CN-109516925-B Synthesis method of glutamic acid-1-methyl ester-5-tert-butyl ester 陕西慧康生物科技有限责任公司 2021-07-16 CN disclosed
CN-109516925-B Synthesis method of glutamic acid-1-methyl ester-5-tert-butyl ester 陕西慧康生物科技有限责任公司 2021-07-16 CN disclosed
CN-109516925-A A kind of synthetic method of the glutamic acid -1- methyl esters -5- tert-butyl ester 陕西慧康生物科技有限责任公司 2019-03-26 CN disclosed