SCHEMBL9006830

SCHEMBL9006830

COc1cccc(CC2CCCCC2=C(C)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.46
PTGER4 P35408 6/20 0.46
PTGER3 P43115 2/20 0.46
PTGER1 P34995 1/20 0.43
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TBXA2R P21731 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGDR Q13258 1/20 0.40
NR4A2 P43354 2/20 0.37
RXRG P48443 1/20 0.37

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 0.79 PTGIR (0.47) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL8055531 0.79 PTGIR (0.47) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL9006820 0.78 RXRA (0.45) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL7490131 0.76 PTGIR (0.69) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL7495210 0.76 PTGIR (0.68) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL7495199 0.76 PTGIR (0.68) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL7479094 0.75 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL7949957 0.75 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL9006885 0.75 PTGIR (0.73) PTGIRPTGER4PTGER3PTGER1RXRA
SCHEMBL8065255 0.74 PTGIR (0.71) PTGIRPTGER4PTGER3RXRARXRB

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