SCHEMBL11270818

SCHEMBL11270818

CCCCOc1nc(O)nc(OCCCC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.42
NR5A1 Q13285 1/20 0.42
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP19A1 P11511 1/20 0.37
MAPK8 P45983 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ESR1 P03372 3/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL9065880 0.96 LTA4H (0.42) LTA4HNR5A1CYP2D6CYP3A4CYP1A2
SCHEMBL11277302 0.94 NR5A1 (0.46) LTA4HNR5A1MAPK8TSHRTP53
SCHEMBL5474635 0.89 NR5A1 (0.46) LTA4HNR5A1MAPK8TSHRTP53
SCHEMBL598441 0.89 CYP2D6 (0.43) LTA4HNR5A1CYP2D6CYP3A4CYP1A2
SCHEMBL11367576 0.88 NR5A1 (0.48) LTA4HNR5A1ESR1TSHRTP53
SCHEMBL11368396 0.88 NR5A1 (0.48) LTA4HNR5A1ESR1TSHRTP53
SCHEMBL11359592 0.88 NR5A1 (0.48) LTA4HNR5A1ESR1TSHRTP53
SCHEMBL11368455 0.88 NR5A1 (0.48) LTA4HNR5A1ESR1TSHRTP53
SCHEMBL11366197 0.88 NR5A1 (0.48) LTA4HNR5A1ESR1TSHRTP53
SCHEMBL4950707 0.82 LTA4H (0.36) LTA4HCYP1A2MAPK8PTGS1LMNA

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-4320126-A INSECTICIDES, MITICIDES, NEMATOCIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-03-16 US disclosed