SCHEMBL4779682

SCHEMBL4779682

CCCCOC(CC)COCCCOc1nc(CCCc2ccccc2)cc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G5 P39877 1/20 0.41
EIF4A1 P60842 5/20 0.41
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CXCR2 P25025 1/20 0.37
LTB4R Q15722 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4779671 0.89 EIF4A1 (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5EIF4A1
SCHEMBL4779677 0.88 EIF4A1 (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5EIF4A1
SCHEMBL4776706 0.87 PLA2G2A (0.42) PLA2G2APLA2G10PLA2G1BPLA2G5CXCR2
SCHEMBL4774611 0.85 LTB4R (0.47) EIF4A1MAPTMEN1KMT2ARAB9A
SCHEMBL4776218 0.82 CYP19A1 (0.42) EIF4A1MAPTMEN1KMT2ARAB9A
SCHEMBL4774562 0.76 CYP19A1 (0.42) MAPTMEN1KMT2ACYP19A1CYP11B1
SCHEMBL4776697 0.76 HRH2 (0.37) PLA2G2APLA2G10PLA2G1BPLA2G5MAPT
SCHEMBL4776700 0.74 HRH2 (0.42) PLA2G2APLA2G10PLA2G1BPLA2G5MAPT
SCHEMBL4774672 0.71 NOS3 (0.43) MAPTMEN1KMT2ARAB9ALTB4R
SCHEMBL4779650 0.69 MAPT (0.46) EIF4A1MAPTMEN1KMT2ACYP19A1

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-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed