SCHEMBL7776310

SCHEMBL7776310

Cc1ccc(B(O)OB(OB(O)c2ccc(C)cc2O)c2ccc(C)cc2O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 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
SCHEMBL1684521 0.78 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL7776306 0.78 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL7772767 0.77 TRPA1 (0.48) TRPA1LPLLIPG
SCHEMBL7776307 0.75 TRPA1 (0.41) TRPA1TP53TDP1LMNACHRM1
SCHEMBL7776321 0.67
SCHEMBL7776335 0.67 KDM4E (0.39) LMNAALDH1A1MAPTGAASELL
SCHEMBL2823017 0.65 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL29953635 0.65 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL10292484 0.65 TRPA1 (0.56) TRPA1TP53TDP1LMNACHRM1
SCHEMBL7774782 0.64 ALDH1A1 (0.46) TRPA1TP53TDP1LMNAALOX15

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