SCHEMBL9006820

SCHEMBL9006820

COc1cccc(CC2CCCCC2=CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
PTGIR P43119 12/20 0.44
PTGER4 P35408 6/20 0.44
PTGER3 P43115 2/20 0.44
PTGER1 P34995 1/20 0.41
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGDR Q13258 1/20 0.38
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8055530 0.86 PTGIR (0.47) RXRARXRBPTGIRPTGER4PTGER3
SCHEMBL8055531 0.86 PTGIR (0.47) RXRARXRBPTGIRPTGER4PTGER3
SCHEMBL9006830 0.78 PTGIR (0.46) RXRARXRBPTGIRPTGER4PTGER3
SCHEMBL7490131 0.76 PTGIR (0.69) RXRARXRBPTGIRPTGER4PTGER3
SCHEMBL7495210 0.75 PTGIR (0.68) RXRARXRBPTGIRPTGER4PTGER3
SCHEMBL7495199 0.75 PTGIR (0.68) RXRARXRBPTGIRPTGER4PTGER3
SCHEMBL7479094 0.75 PTGIR (0.73) RXRARXRBPTGIRPTGER4PTGER3
SCHEMBL9006885 0.75 PTGIR (0.73) RXRARXRBPTGIRPTGER4PTGER3
SCHEMBL7949957 0.75 PTGIR (0.73) RXRARXRBPTGIRPTGER4PTGER3
SCHEMBL9006886 0.74 PTGIR (0.48) RXRARXRBPTGIRPTGER4PTGER3

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-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed