SCHEMBL28600536

SCHEMBL28600536

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
KMT2A Q03164 2/20 0.39
KCNN4 O15554 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL28288740 0.90 ADAMTS4 (0.43) MDM4MDM2KMT2AKCNN4
SCHEMBL28287518 0.89 KLK5 (0.39) ALOX5MDM4MDM2KMT2AALDH1A1
SCHEMBL29045223 0.85 KMT2A (0.43) CA12CA1CA2CA9MDM4
SCHEMBL5799829 0.85 KMT2A (0.43) CA12CA1CA2CA9MDM4
SCHEMBL13731787 0.82 ITGA4 (0.40)
SCHEMBL3470855 0.82 ITGA4 (0.40)
SCHEMBL3470853 0.82 ITGA4 (0.40)
SCHEMBL993439 0.82 ALDH1A1 (0.47) CA12CA2CA9MDM4MDM2
SCHEMBL346218 0.82 ALDH1A1 (0.47) CA12CA2CA9MDM4MDM2
SCHEMBL993145 0.82 ALDH1A1 (0.47) CA12CA2CA9MDM4MDM2

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 2 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-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