Sugi Predict

Sugi Predict / Compounds / SCHEMBL9050864

SCHEMBL9050864

SCHEMBL9050864

O=CC(C1CCCc2c(OC(=O)CO)cccc21)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 4/20 0.37
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ SIGMAR1 Q99720 3/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33

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
SCHEMBL9048464 0.85 PTGIR (0.42) PTGIRCA1CA2ACHESIGMAR1
SCHEMBL9047483 0.78 ACHE (0.40) PTGIRCA1CA2ACHESIGMAR1
SCHEMBL9427081 0.77 PTGIR (0.43) PTGIRSIGMAR1
SCHEMBL9427080 0.77 PTGIR (0.39) PTGIRACHEDRD4
SCHEMBL9427328 0.77 SIGMAR1 (0.44) PTGIRACHESIGMAR1
SCHEMBL9427497 0.74 PTGIR (0.48) PTGIRSIGMAR1
SCHEMBL9048016 0.73 PTGIR (0.48) PTGIRSIGMAR1
SCHEMBL9047496 0.73 TAS1R3 (0.40) PTGIRCA1CA2ACHEDRD4
SCHEMBL9047991 0.72 PTGIR (0.38) PTGIRCA1CA2ACHESIGMAR1
SCHEMBL9048933 0.72 PTGIR (0.52) PTGIRACHEDRD4

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-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 — — EP claimed