SCHEMBL28691528

SCHEMBL28691528

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ FABP3 P05413 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ SRD5A1 P18405 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ PIK3CG P48736 1/20 0.33
▸ FFAR4 Q5NUL3 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ MDM2 Q00987 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL30883356 0.86 PTPN1 (0.38) PTPN1KMT2AFABP3FABP4SRD5A1
SCHEMBL13611406 0.77 KMT2A (0.39) PTPN1KMT2AFABP3FABP4FABP5
SCHEMBL29363915 0.77 ALDH1A1 (0.46) KMT2AFABP5ALDH1A1LMNAHTT
SCHEMBL28901513 0.77 ALDH1A1 (0.46) KMT2AFABP5ALDH1A1LMNAHTT
SCHEMBL29401351 0.71 POLB (0.43) PTPN1KMT2AFABP5ALDH1A1LMNA
SCHEMBL21601654 0.71 PTPN1 (0.41) PTPN1KMT2ANR1H3FFAR4ALDH1A1
SCHEMBL3700750 0.71 TDP1 (0.43) KMT2AFABP5ALDH1A1LMNAHTT
SCHEMBL7169749 0.71 KMT2A (0.44) KMT2AFABP5FFAR4LMNAFFAR1
SCHEMBL2251219 0.70 ALDH1A1 (0.40) PTPN1KMT2AFABP5NR1H3ALDH1A1
SCHEMBL29398220 0.70 ALDH1A1 (0.44) KMT2AFABP5ALDH1A1LMNAHTT

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-A Somalulet sodium salt and preparation method and application thereof 浙江湃肽生物有限公司 2022-02-11 — — CN disclosed
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