SCHEMBL27574285

SCHEMBL27574285

O=C(NC=Cc1ccccc1)c1cccc(CC2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.56
PTGER4 P35408 5/20 0.45
PTGER1 P34995 1/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR4A2 P43354 3/20 0.35
RXRA P19793 1/20 0.35
NR4A1 P22736 1/20 0.35
RXRB P28702 1/20 0.35
NR4A3 Q92570 1/20 0.35
FABP4 P15090 1/20 0.35
PTGER3 P43115 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 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
SCHEMBL7964792 0.85 PTGIR (0.66) PTGIRPTGER4PTGER1NPC1RAB9A
SCHEMBL7484083 0.84 PTGIR (0.58) PTGIRPTGER4PTGER1NPC1RAB9A
SCHEMBL7957353 0.83 PTGIR (0.64) PTGIRPTGER4PTGER1KDM4ELMNA
SCHEMBL7484312 0.82 PTGIR (0.61) PTGIRPTGER4PTGER1NPC1RAB9A
SCHEMBL8056766 0.78 PTGIR (0.64) PTGIRPTGER4PTGER1NPC1RAB9A
SCHEMBL9007045 0.76 PTGIR (0.66) PTGIRPTGER4PTGER1NPC1RAB9A
SCHEMBL9006762 0.76 PTGIR (0.71) PTGIRPTGER4PTGER1KDM4ELMNA
SCHEMBL8065447 0.76 PTGIR (0.82) PTGIRPTGER4PTGER1KDM4EFABP4
SCHEMBL9006753 0.74 PTGIR (0.69) PTGIRPTGER4PTGER1KDM4ELMNA
SCHEMBL8066060 0.74 PTGIR (0.68) PTGIRPTGER4PTGER1NPC1RAB9A

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
CN-1328550-A Oxazole compounds as prostaglandin E2 agonists or antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-26 CN disclosed