SCHEMBL30883356

SCHEMBL30883356

COc1ccc(CN(CC(=O)OC(C)(C)C)C(=O)OCC2c3ccccc3-c3ccccc32)c(OCCCC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ FABP3 P05413 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ FFAR4 Q5NUL3 3/20 0.34
▸ SRD5A1 P18405 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL28691528 0.86 PTPN1 (0.37) PTPN1KMT2AFABP3FABP4ALDH1A1
SCHEMBL29363915 0.81 ALDH1A1 (0.46) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28901513 0.81 ALDH1A1 (0.46) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13611406 0.78 KMT2A (0.39) PTPN1KMT2AFABP3FABP4ALDH1A1
SCHEMBL22091999 0.77 KMT2A (0.47) KMT2AFABP5
SCHEMBL30278742 0.77 KMT2A (0.47) KMT2AFABP5
SCHEMBL29521277 0.76 KMT2A (0.41) KMT2AFABP5
SCHEMBL16060098 0.76 KMT2A (0.41) KMT2AFABP5
SCHEMBL29401351 0.76 POLB (0.43) PTPN1KMT2AALDH1A1LMNAHTT
SCHEMBL21601654 0.76 PTPN1 (0.41) PTPN1KMT2AALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031680-B Sodamide sodium salt and preparation method and application thereof 浙江湃肽生物有限公司 2024-03-26 — — CN disclosed
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