SCHEMBL29956752

SCHEMBL29956752

CC(C)COc1cc(B(O)O)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
TTR P02766 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGER1 P34995 1/20 0.36
XDH P47989 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
MGLL Q99685 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL1156315 0.85 ALDH1A1 (0.54) ENPP2ALDH1A1GAALMNATP53
SCHEMBL2854999 0.81 ENPP2 (0.46) ENPP2TSHRALDH1A1GAATTR
SCHEMBL29956646 0.81 ENPP2 (0.46) ENPP2TSHRALDH1A1GAATTR
SCHEMBL29952606 0.81 ALDH1A1 (0.46) ENPP2TDP1ALDH1A1GAALMNA
SCHEMBL2558072 0.79 ALDH1A1 (0.44) ENPP2ALDH1A1GAAKDM1AMAPT
SCHEMBL29953019 0.79 CSNK2A1 (0.44) ENPP2L3MBTL1ALDH1A1GAATTR
SCHEMBL4881084 0.79 CSNK2A1 (0.44) ENPP2L3MBTL1ALDH1A1GAATTR
SCHEMBL29954995 0.78 TTR (0.42) ENPP2GAATTRLMNAMEN1
SCHEMBL23363515 0.77 ENPP2 (0.43) ENPP2L3MBTL1ALDH1A1TTRLMNA
SCHEMBL29899161 0.77 ENPP2 (0.43) ENPP2L3MBTL1ALDH1A1TTRLMNA

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