SCHEMBL9005660

SCHEMBL9005660

O=C(O)COc1ccc2c(c1)CCC2C/C=N\OC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.57
PPARD Q03181 13/20 0.50
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
PPARA Q07869 4/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9005721 1.00 PTGIR (0.57) PTGIRPPARDADRB1ADRB3PPARA
SCHEMBL9005770 0.83 PTGIR (0.68) PTGIRADRB1ADRB3
SCHEMBL9005700 0.83 PTGIR (0.68) PTGIRADRB1ADRB3
SCHEMBL9005739 0.83 PTGIR (0.68) PTGIRADRB1ADRB3
SCHEMBL9005645 0.81 PTGIR (0.74) PTGIR
SCHEMBL9005755 0.81 PTGIR (0.74) PTGIR
SCHEMBL9005686 0.77 PTGIR (0.84) PTGIR
SCHEMBL9005777 0.77 PTGIR (0.84) PTGIR
SCHEMBL8354931 0.75 PTGIR (0.88) PTGIRPPARA
SCHEMBL8354932 0.75 PTGIR (0.88) PTGIRPPARA

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-0578847-B1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO (JP) 1996-10-09 EP claimed