SCHEMBL9045875

SCHEMBL9045875

O=C(CO)Oc1cccc2c1CCC(C(=O)NC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PTGIR P43119 11/20 0.42
EPHX2 P34913 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
S1PR5 Q9H228 1/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KMT2A Q03164 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
SCHEMBL9048637 0.85 PTGIR (0.45) PTGIREPHX2CA1CA2ACHE
SCHEMBL9045885 0.85 PTGIR (0.58) LMNAPTGIR
SCHEMBL9048138 0.83 PTGIR (0.52) PTGIRALDH1A1
SCHEMBL9048873 0.78 PTGIR (0.42) PTGIRCA1CA2ACHE
SCHEMBL9045869 0.78 LMNA (0.51) LMNAEPHX2ALDH1A1KMT2A
SCHEMBL9567957 0.78 LMNA (0.63) LMNAALDH1A1MTNR1AMTNR1BKMT2A
SCHEMBL9427064 0.77 LMNA (0.45) LMNAPTGIR
SCHEMBL9046372 0.77 PTGIR (0.45) PTGIRCA1CA2ACHE
SCHEMBL9048371 0.76 PTGIR (0.50) PTGIR
SCHEMBL9051610 0.74 SLC6A4 (0.40) LMNAPTGIRACHEALDH1A1KMT2A

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 2 patents. 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
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed