SCHEMBL30055020

SCHEMBL30055020

CC(C)(C)OC(=O)CCCNC(=O)CCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ SLC6A5 Q9Y345 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CAPN1 P07384 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PAOX Q6QHF9 2/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TET2 Q6N021 1/20 0.37
▸ DOHH Q9BU89 1/20 0.37

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
SCHEMBL20013228 0.92 EPHX2 (0.48) CA1CA2EPHX2SLC6A5TSHR
SCHEMBL19973325 0.91 SLC6A5 (0.54) EPHX2SLC6A5TSHRRECQLTDP1
SCHEMBL20327914 0.89 TSHR (0.43) CA1CA2EPHX2SLC6A5TSHR
SCHEMBL25030096 0.87 TSHR (0.44) CA1CA2EPHX2SLC6A5TSHR
SCHEMBL23482834 0.87 EPHX2 (0.45) CA1CA2EPHX2TSHRCAPN1
SCHEMBL22967363 0.85 KMT2A (0.40) CA1CA2EPHX2CAPN1TDP1
SCHEMBL648724 0.84 CYP1A2 (0.54) CA1CA2EPHX2TSHRRECQL
SCHEMBL28676999 0.84 CA1 (0.56) CA1CA2SLC6A5TSHRCAPN1
SCHEMBL25028544 0.84 TLR2 (0.41) CA1CA2EPHX2SLC6A5TSHR
SCHEMBL22199737 0.83 TLR2 (0.42) CA1CA2EPHX2SLC6A5TSHR

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-4087848-A1 MULTI-FUNCTIONAL CHIMERIC MOLECULES The Broad Institute, Inc. (US) 2022-11-16 — — EP disclosed
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