SCHEMBL7774803

SCHEMBL7774803

CCc1ccc(O)c(B(O)OB(OB(O)c2cc(CC)ccc2O)c2cc(CC)ccc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
POLB P06746 2/20 0.40
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
DAO P14920 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
BACE1 P56817 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 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
SCHEMBL7772767 0.83 TRPA1 (0.48) TRPA1POLBDAOLPLLIPG
SCHEMBL7235058 0.80 TRPA1 (0.61) TRPA1POLBCNR1CNR2DAO
SCHEMBL7774795 0.80 TRPA1 (0.61) TRPA1POLBCNR1CNR2DAO
SCHEMBL7774799 0.78 TRPA1 (0.46) TRPA1POLBCNR1CNR2LPL
SCHEMBL7774782 0.75 ALDH1A1 (0.46) TRPA1POLBKDM4EALDH1A1HSD17B10
SCHEMBL7978273 0.73 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL7241842 0.69 TRPA1 (0.61) TRPA1POLBDAOLPLLIPG
SCHEMBL7772761 0.69 TRPA1 (0.61) TRPA1POLBDAOLPLLIPG
SCHEMBL56556 0.67 TRPA1 (1.00) TRPA1POLBCNR1KDM4EALDH1A1
SCHEMBL30290839 0.67 TRPA1 (1.00) TRPA1POLBCNR1KDM4EALDH1A1

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