SCHEMBL28140874

SCHEMBL28140874

O=C(O)C=Cc1ccc(O)cc1O.O=C(O)C=Cc1ccc(O)cc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.68
TYR P14679 3/20 0.67
CHRNA7 P36544 7/20 0.66
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA4 P22748 2/20 0.60
NFKB1 P19838 1/20 0.60
BACE1 P56817 1/20 0.60
MGAM O43451 1/20 0.56
GAA P10253 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
CA12 O43570 1/20 0.53
AKR1B10 O60218 1/20 0.53
ESR1 P03372 1/20 0.53
CA3 P07451 1/20 0.53
PKM P14618 1/20 0.53
AKR1B1 P15121 1/20 0.53
CA6 P23280 1/20 0.53
DPP4 P27487 1/20 0.53

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
SCHEMBL471946 1.00 MIF (0.68) MIFTYRCHRNA7CA1CA2
SCHEMBL28391865 1.00 MIF (0.68) MIFTYRCHRNA7CA1CA2
SCHEMBL89187 1.00 MIF (0.68) MIFTYRCHRNA7CA1CA2
SCHEMBL11461920 0.98 MIF (0.66) MIFTYRCHRNA7CA1CA2
SCHEMBL27576656 0.98 MIF (0.66) MIFTYRCHRNA7CA1CA2
SCHEMBL29065212 0.93 CHRNA7 (0.61) MIFTYRCHRNA7CA1CA2
SCHEMBL29065213 0.93 CHRNA7 (0.61) MIFTYRCHRNA7CA1CA2
Coumaric Acid SCHEMBL28848354 0.91 BACE1 (0.74) MIFTYRCHRNA7CA1CA2
SCHEMBL4653698 0.86 CHRNA7 (0.68) TYRCHRNA7NFKB1BACE1MGAM
SCHEMBL4653701 0.86 CHRNA7 (0.68) TYRCHRNA7NFKB1BACE1MGAM

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
CN-103619414-B Use at least one dihydroxy flavanols, manganese salt or zinc salt, hydrogen peroxide, carbonic acid(Hydrogen)The hair-dyeing method of salt, basifier and magnesium salts, molybdenum salt or calcium salt 欧莱雅 2017-06-09 CN disclosed