SCHEMBL23809602

SCHEMBL23809602

CNC(Cc1ccc(C(=O)C(C)=O)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MME P08473 5/20 0.41
ACE2 Q9BYF1 5/20 0.41
ACE P12821 4/20 0.41
CPA1 P15085 3/20 0.41
FOLH1 Q04609 1/20 0.41
PPARG P37231 2/20 0.41
CA2 P00918 3/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL18067342 0.87 KMT2A (0.55) TDP1PTPN1MEN1KMT2AL3MBTL1
SCHEMBL27095768 0.85 TDP1 (0.57) TDP1PTPN1MEN1KMT2AL3MBTL1
SCHEMBL458048 0.85 TDP1 (0.57) TDP1PTPN1MEN1KMT2AL3MBTL1
SCHEMBL25356249 0.85 TDP1 (0.57) TDP1PTPN1MEN1KMT2AL3MBTL1
SCHEMBL25357735 0.82 PLA2G10 (0.51) TDP1PTPN1MEN1KMT2AL3MBTL1
SCHEMBL25356783 0.82 PLA2G10 (0.51) TDP1PTPN1MEN1KMT2AL3MBTL1
SCHEMBL25356787 0.82 PLA2G10 (0.51) TDP1PTPN1MEN1KMT2AL3MBTL1
SCHEMBL161943 0.80 FOLH1 (0.60) MEN1KMT2AL3MBTL1MMEACE2
SCHEMBL22444653 0.80 PPARG (0.47) L3MBTL1MMEACE2ACECPA1
SCHEMBL160418 0.80 FOLH1 (0.60) MEN1KMT2AL3MBTL1MMEACE2

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-3170821-B1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES AMBRX INC (US) 2021-09-15 EP disclosed