SCHEMBL8548332

SCHEMBL8548332

CC(=O)Oc1ccc(CC2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.66
PTGER4 P35408 5/20 0.66
PTGER1 P34995 1/20 0.66
PTGER3 P43115 1/20 0.63
FABP4 P15090 2/20 0.38
POLB P06746 1/20 0.36
FABP3 P05413 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR4A2 P43354 3/20 0.36
LMNA P02545 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 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
SCHEMBL8548330 0.91 PTGIR (0.64) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL8075231 0.90 PTGIR (0.75) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL9006710 0.90 PTGIR (0.75) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL8551042 0.88 PTGIR (0.60) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7489473 0.88 PTGER4 (0.64) PTGIRPTGER4PTGER1PTGER3KDM4E
SCHEMBL7493443 0.87 PTGIR (0.71) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL8551740 0.87 PTGIR (0.66) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7957721 0.86 PTGER4 (0.81) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7960451 0.86 PTGER4 (0.81) PTGIRPTGER4PTGER1PTGER3FABP4
SCHEMBL7949540 0.85 PTGER4 (0.69) PTGIRPTGER4PTGER1PTGER3FABP4

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
EP-0842161-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-20 EP disclosed