SCHEMBL11129807

SCHEMBL11129807

C=CC(=O)NCCCCOc1c(C(=O)O)cc2ccccc2c1C(CCCCNC(=O)C=C)(CCCCNC(=O)C=C)c1c(OCCCCNC(=O)C=C)c(C(=O)O)cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 19/20 0.43
▸ CDC25B P30305 1/20 0.36

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
SCHEMBL10807876 0.75 TGM2 (0.42) TGM2
SCHEMBL10364323 0.74 TGM2 (0.47) TGM2
SCHEMBL10803992 0.72 ALDH1A1 (0.54) TGM2
SCHEMBL10809291 0.72 HDAC3 (0.50) TGM2
SCHEMBL10363163 0.71 SLC6A4 (0.58) TGM2
SCHEMBL10364011 0.71 TGM2 (0.45) TGM2
SCHEMBL10363150 0.71 HDAC6 (0.50) TGM2
SCHEMBL14846400 0.70 TGM2 (0.46) TGM2
SCHEMBL10804531 0.70 TGM2 (0.52) TGM2
SCHEMBL10806368 0.70 TGM2 (0.47) TGM2

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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