SCHEMBL11368455

SCHEMBL11368455

CCCCCCCCCCCCCCOc1nc(O)nc(O)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.48
LTA4H P09960 1/20 0.42
GPR84 Q9NQS5 2/20 0.40
SOAT1 P35610 1/20 0.40
PLA2G2A P14555 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PLA2G4B P0C869 1/20 0.39
GBA1 P04062 1/20 0.38
ESR1 P03372 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL11367576 1.00 NR5A1 (0.48) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL11366197 1.00 NR5A1 (0.48) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL11359592 1.00 NR5A1 (0.48) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL11368396 1.00 NR5A1 (0.48) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL5474635 0.98 NR5A1 (0.46) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL11277302 0.94 NR5A1 (0.46) NR5A1LTA4HGPR84SOAT1PLA2G2A
SCHEMBL9065880 0.92 LTA4H (0.42) NR5A1LTA4HTSHRESR1
SCHEMBL11270818 0.88 LTA4H (0.42) NR5A1LTA4HTP53TSHRESR1
SCHEMBL25384494 0.85 NR5A1 (0.47) NR5A1LTA4HSOAT1PLA2G2ATP53
SCHEMBL11587263 0.85 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-4256558-A EXTRUSION OF A BLEND OF POLYETHYLENE TEREPHTHALATE AND A DIALLYL COMPOUND FOLLOWED BY RADIATION CURING; FILMS AND FILAMENTS HAVING GOOD HEAT RESISTANCE AND PHOTOSTABILITY TEIJIN LIMITED (JP) 1981-03-17 US disclosed