SCHEMBL23278802

SCHEMBL23278802

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KLK7 P49862 2/20 0.41
▸ KLK5 Q9Y337 2/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CAPN1 P07384 1/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ ATM Q13315 2/20 0.40
▸ TGM2 P21980 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39

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
SCHEMBL30029104 1.00 MEN1 (0.45) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL30030056 0.92 TDP1 (0.47) MEN1KMT2AGAAALDH1A1KLK7
SCHEMBL29796125 0.86 CAPN1 (0.46) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL14439650 0.85 ALDH1A1 (0.46) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL15888952 0.85 ALDH1A1 (0.46) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL15498945 0.85 CAPN1 (0.47) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL30895514 0.85 ALB (0.43) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL15625939 0.84 ALDH1A1 (0.46) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL14674508 0.84 ALDH1A1 (0.46) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL16013190 0.84 TGM2 (0.43) TGM2FOLH1ITGB3ALB

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-3070095-B1 ADENO-ASSOCIATED VIRUS WITH SITE-DIRECTED MUTAGENESIS AND SITE-DIRECTED MODIFICATION, AND PREPARATION METHOD AND APPLICATION THEREFOR UNIV BEIJING (CN) 2021-04-28 — — EP disclosed
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