SCHEMBL29952924

SCHEMBL29952924

CCOC(=O)c1cc(Cl)ccc1B(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
TSHR P16473 2/20 0.50
MAOB P27338 1/20 0.49
ALOX15 P16050 3/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK10 P53779 1/20 0.48
KDM4E B2RXH2 4/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46

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
SCHEMBL473980 1.00 MAPK1 (0.51) MAPK1TSHRMAOBALOX15KMT2A
SCHEMBL19763606 0.90 MAPK1 (0.46) MAPK1TSHRMAOBALOX15KMT2A
SCHEMBL6516041 0.89 MAOB (0.51) MAPK1TSHRMAOBALOX15KMT2A
SCHEMBL235046 0.84 TSHR (0.60) MAPK1TSHRMAOBALOX15KMT2A
SCHEMBL11225504 0.83 CYP4F2 (0.67) MAPK1TSHRALOX15KMT2AKDM4E
SCHEMBL549144 0.83 MAPK1 (0.54) MAPK1TSHRMAOBALOX15KMT2A
SCHEMBL29958024 0.82 TSHR (0.54) MAPK1TSHRKMT2AMEN1KDM4E
SCHEMBL19893894 0.82 TSHR (0.54) MAPK1TSHRKMT2AMEN1KDM4E
SCHEMBL27711843 0.81 MAPK1 (0.47) MAPK1TSHRMAOBALOX15KMT2A
SCHEMBL19971601 0.81 MAPK1 (0.52) MAPK1TSHRMAOBALOX15KMT2A

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