SCHEMBL14548003

SCHEMBL14548003

C=C(/C=C/c1ccc(O)cc1)CC(=C)/C=C/c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 2/20 0.61
AKR1B1 P15121 2/20 0.61
MAOB P27338 2/20 0.61
PTGS2 P35354 1/20 0.61
GLO1 Q04760 1/20 0.61
CAMK2A Q9UQM7 1/20 0.61
TYR P14679 3/20 0.54
F3 P13726 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HSD11B1 P28845 1/20 0.54
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
ESR1 P03372 1/20 0.52
CA3 P07451 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL16067308 0.77 TYR (0.61) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL28877689 0.76 TYR (0.56) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL12261582 0.76 LMNA (0.59) AKR1B10AKR1B1MAOBPTGS2GLO1
Bisdemethoxycurcumin SCHEMBL2574140 0.76 AKR1B1 (1.00) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL11773809 0.76 LMNA (0.59) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL15866315 0.75 CA12 (0.44) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL12453517 0.74 F3 (0.59) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL21281461 0.74 ACHE (0.45) MAOBCYP2C9CA1MMP1MMP2
SCHEMBL6266989 0.72 APP (0.74) AKR1B10AKR1B1MAOBPTGS2TYR
SCHEMBL6266983 0.72 APP (0.74) AKR1B10AKR1B1MAOBPTGS2TYR

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
WO-2007043058-A1 PROCESS FOR PRODUCING ENRICHED FRACTIONS OF TETRAHYDROXYCURCUMIN AND TETRAHYDROTETRAHYDROXY-CURCUMIN FROM THE EXTRACTS OF CURCUMA LONGA GOKARAJU GANGA RAJU (IN) 2007-04-19 WO disclosed