SCHEMBL11036931

SCHEMBL11036931

C=CC(=O)NCCCCOc1c(S(=O)(=O)O)cc2c(c1OCCCCNC(=O)C=C)C(=O)c1ccccc1C2=O.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGAM1 P18669 3/20 0.42
▸ PKLR P30613 8/20 0.39
▸ TGM2 P21980 9/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTPN1 P18031 2/20 0.34

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
SCHEMBL10806332 0.90 PKLR (0.44) PGAM1PKLRTGM2ALDH1A1THRB
SCHEMBL10805774 0.80 TGM2 (0.43) PKLRTGM2
SCHEMBL10810349 0.79 TGM2 (0.42) TGM2ALDH1A1
SCHEMBL10364797 0.76 TGM2 (0.45) TGM2ALDH1A1THRBMAPTL3MBTL1
SCHEMBL10807361 0.74 TGM2 (0.42) PKLRTGM2ALDH1A1MAPTL3MBTL1
SCHEMBL10805447 0.74 TGM2 (0.42) TGM2ALDH1A1THRBMAPTLMNA
SCHEMBL10364062 0.74 AURKA (0.43) PKLRTGM2ALDH1A1MAPTL3MBTL1
SCHEMBL10802603 0.73 KMT2A (0.43) TGM2ALDH1A1MAPT
SCHEMBL10804942 0.73 KCNA3 (0.51) TGM2ALDH1A1
SCHEMBL10808493 0.73 TGM2 (0.50) TGM2ALDH1A1

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
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 — — EP disclosed
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