SCHEMBL5313182

SCHEMBL5313182

CC1=C(C(=O)OCC(C)C)C(c2cccc(O)c2)C2=C(CC(c3ccccc3)CC2=O)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 4/20 0.51
CACNA1D Q01668 4/20 0.51
CACNA1S Q13698 4/20 0.51
CACNA1C Q13936 4/20 0.51
KDM4E B2RXH2 10/20 0.50
ALDH1A1 P00352 8/20 0.50
POLB P06746 4/20 0.48
LMNA P02545 2/20 0.48
AGTR1 P30556 1/20 0.48
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
KIF11 P52732 1/20 0.45
CYP1A2 P05177 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
SCHEMBL5314821 0.93 CACNA1F (0.51) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL5311848 0.91 KDM4E (0.58) KDM4EALDH1A1POLBLMNAAGTR1
SCHEMBL3324462 0.90 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL5334676 0.89 ALDH1A1 (0.60) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL5311773 0.89 PDE1C (0.52) KDM4EALDH1A1POLBLMNAAGTR1
SCHEMBL5332348 0.88 KDM4E (0.51) KDM4EALDH1A1POLBLMNAAGTR1
SCHEMBL12932104 0.88 KDM4E (0.58) KDM4EALDH1A1POLBLMNAAGTR1
SCHEMBL5312208 0.88 KDM4E (0.66) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL5309384 0.87 KDM4E (0.55) KDM4EALDH1A1POLBLMNAAGTR1
SCHEMBL31634797 0.87 KDM4E (0.55) KDM4EALDH1A1POLBLMNAAGTR1

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-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO disclosed