SCHEMBL11277302

SCHEMBL11277302

CCCCCOc1nc(O)nc(OCCCCC)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.46
LTA4H P09960 3/20 0.43
GPR84 Q9NQS5 2/20 0.38
SOAT1 P35610 1/20 0.37
PLA2G2A P14555 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK8 P45983 1/20 0.37
PLA2G4B P0C869 1/20 0.36
MCHR1 Q99705 1/20 0.36
TLR8 Q9NR97 1/20 0.36
GBA1 P04062 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
SCHEMBL5474635 0.96 NR5A1 (0.46) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL11366197 0.94 NR5A1 (0.48) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL11368455 0.94 NR5A1 (0.48) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL11367576 0.94 NR5A1 (0.48) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL11359592 0.94 NR5A1 (0.48) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL11368396 0.94 NR5A1 (0.48) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL11270818 0.94 LTA4H (0.42) NR5A1LTA4HTP53TSHRMAPK8
SCHEMBL9065880 0.89 LTA4H (0.42) NR5A1LTA4HTSHRMAPK8
SCHEMBL899058 0.89 NR5A1 (0.43) NR5A1LTA4HSOAT1PLA2G2ATP53
SCHEMBL25384494 0.87 NR5A1 (0.47) NR5A1LTA4HSOAT1PLA2G2ATP53

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