SCHEMBL5406745

SCHEMBL5406745

O=C(O)C(CCC(c1ccccc1)c1ccccc1)C(=O)COCCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
GAA P10253 1/20 0.36
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR2 P41597 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5410119 0.87 EPHX2 (0.48) EPHX2LMNAANPEPERAP2ERAP1
SCHEMBL5405591 0.81 PTPRA (0.42) EPHX2SMN1; SMN2CYP1A2CYP2C19
SCHEMBL5414553 0.79 HTT (0.47) SMN1; SMN2CYP3A4
SCHEMBL5406752 0.77 CYP19A1 (0.42) EPHX2LMNALTA4HANPEPERAP2
SCHEMBL5406749 0.74 EPHX2 (0.43) EPHX2LMNALTA4HSLC6A3SLC6A2
SCHEMBL28750888 0.73 FFAR4 (0.45) LTA4HCYP19A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL5410209 0.72 CHRM3 (0.40) SLC6A3SLC6A2SLC6A4PTGESALOX5
SCHEMBL5403131 0.72 TSHR (0.49) EPHX2CYP1A2CYP2D6CYP2C19
SCHEMBL5407582 0.72 HRH1 (0.46) LTA4HSLC6A3SLC6A2SLC6A4SMN1; SMN2
SCHEMBL5401743 0.72 HRH1 (0.46) LTA4HSLC6A3SLC6A2SLC6A4SMN1; SMN2

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
US-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed