SCHEMBL3241345

SCHEMBL3241345

CCOC(=O)c1cccc(Oc2cccc(C3C(C(=O)O)=C(C)Nc4nnnn43)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
LMNA P02545 6/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 10/20 0.52
PKM P14618 1/20 0.51
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 2/20 0.44
KIF11 P52732 1/20 0.44

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
SCHEMBL2995474 0.95 LMNA (0.61) POLBLMNATSHRALDH1A1PKM
SCHEMBL3006595 0.93 LMNA (0.59) POLBLMNATSHRALDH1A1PKM
SCHEMBL3004158 0.89 LMNA (0.58) POLBLMNATSHRALDH1A1PKM
SCHEMBL3247603 0.87 PKM (0.59) POLBLMNATSHRALDH1A1PKM
SCHEMBL4255549 0.86 POLB (0.70) POLBLMNATSHRALDH1A1PKM
SCHEMBL2999806 0.82 POLB (0.69) POLBLMNATSHRALDH1A1PKM
SCHEMBL2994188 0.81 PKM (0.66) LMNATSHRALDH1A1PKMNPSR1
SCHEMBL3005289 0.81 ALDH1A1 (0.71) POLBLMNATSHRALDH1A1PKM
SCHEMBL2996131 0.81 POLB (0.70) POLBLMNATSHRALDH1A1PKM
SCHEMBL2997762 0.81 POLB (0.70) POLBLMNATSHRALDH1A1PKM

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
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed