SCHEMBL29957772

SCHEMBL29957772

CNC(=O)c1cc(OC2CC2)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.43
BAZ2B Q9UIF8 1/20 0.43
EPHX2 P34913 5/20 0.39
ABL1 P00519 1/20 0.38
RAF1 P04049 2/20 0.38
FAAH O00519 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
PARP10 Q53GL7 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ACSL1 P33121 1/20 0.36
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
ACACB O00763 1/20 0.35

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
SCHEMBL29953745 0.89 KAT2B (0.43) KAT2BBAZ2BEPHX2ABL1RAF1
SCHEMBL29952862 0.82 MAOB (0.44) EPHX2ABL1FAAHPARP10MAOB
SCHEMBL29951453 0.81 PARP10 (0.50) ABL1PARP10MAOBACSL1ACACB
SCHEMBL29956204 0.81 TRIM24 (0.56) RAF1ALDH1A1TRIM24TYRTRIM33
SCHEMBL29954871 0.77 PTPN1 (0.38) ABL1HRH3PARP10ALDH1A1ACSL1
SCHEMBL29953161 0.76 KAT2B (0.50) KAT2BBAZ2B
SCHEMBL29951524 0.76 KAT2B (0.39) KAT2BBAZ2BEPHX2ABL1RAF1
SCHEMBL29956935 0.74 MAOB (0.44) EPHX2FAAHHRH3PARP10MAOB
SCHEMBL29950762 0.74 ERN1 (0.36) ABL1HRH3PARP10ALDH1A1ACACB
SCHEMBL24923915 0.72 SRC (0.44) ALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed