SCHEMBL7776307

SCHEMBL7776307

Cc1ccc(B(O)Oc2cc(C)ccc2B(O)O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
TP53 P04637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
ACHE P22303 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
MPI P34949 1/20 0.34
RECQL P46063 1/20 0.34
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL7776306 0.79 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL1684521 0.79 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL7776310 0.75 TRPA1 (0.43) TRPA1TP53TDP1LMNACHRM1
SCHEMBL1228414 0.74 ACHE (0.58) ACHEALDH1A1GAAMAPTKMT2A
SCHEMBL29955197 0.74 ACHE (0.58) ACHEALDH1A1GAAMAPTKMT2A
SCHEMBL7478722 0.71 ADORA3 (0.40) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL2140990 0.69 MAPT (0.45) TDP1LMNAACHEALDH1A1GAA
SCHEMBL29551713 0.68 TRPA1 (0.48) TRPA1TP53TDP1LMNACHRM1
SCHEMBL31114558 0.68 TRPA1 (0.48) TRPA1TP53TDP1LMNACHRM1
SCHEMBL29952684 0.68 GPR3 (0.39) TDP1CHRM1ADRA1AHTR2BACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119573-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2001-08-01 EP disclosed
WO-2000009512-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2000-02-24 WO disclosed