SCHEMBL7717811

SCHEMBL7717811

O=C(O)COc1cccc2c1CCCC(COC(=O)N(c1ccccc1)c1ccccc1)=C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.53
PTGDR Q13258 6/20 0.53
PTGER3 P43115 2/20 0.53
PTGER1 P34995 1/20 0.53
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL7776643 0.94 PTGIR (0.55) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7718281 0.84 PTGIR (0.36) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7772443 0.82 PTGIR (0.44) PTGIRPTGDRPTGER3PTGER1KDM4E
SCHEMBL8078060 0.79 PTGIR (0.40) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7718275 0.79 PTGIR (0.36) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7718289 0.77 PTGIR (0.59) PTGIRPTGDRPTGER3PTGER1RXRA
SCHEMBL8487303 0.73 PTGIR (0.45) PTGIRPTGDRPTGER3PTGER1KDM4E
SCHEMBL7776701 0.73 PTGIR (0.37) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7778533 0.72 PTGIR (0.67) PTGIRPTGDRPTGER3PTGER1PTGDR2
SCHEMBL7713222 0.72 PTGIR (0.89) PTGIRPTGDRPTGER3PTGER1PTGER4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384072-B1 CARBAMYL SUBSTITUTED COMPOUNDS WITH ETHER GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1030834-A1 BENZOCYCLOHEPTENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP disclosed
WO-1999024397-A1 BENZOCYCLOHEPTENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-20 WO disclosed