SCHEMBL9049412

SCHEMBL9049412

CN(CC1CCc2c(cccc2C(=O)C(=O)O)C1)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
PTGIR P43119 11/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ACHE P22303 2/20 0.36
MCHR1 Q99705 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9051775 0.90 PTGIR (0.40) ALDH1A1KMT2APTGIRCA1CA2
SCHEMBL9048870 0.90 ALDH1A1 (0.40) ALDH1A1KMT2APTGIRMCHR1MEN1
SCHEMBL9046367 0.83 PTGIR (0.39) ALDH1A1KMT2APTGIRMEN1GAA
SCHEMBL9048134 0.83 PTGIR (0.45) ALDH1A1KMT2APTGIRMEN1GAA
SCHEMBL8858398 0.82 PTGIR (0.59) PTGIR
SCHEMBL9049235 0.81 PTGIR (0.44) PTGIRCA1CA2ACHE
SCHEMBL9048366 0.81 PTGIR (0.43) ALDH1A1KMT2APTGIRMEN1GAA
SCHEMBL9050993 0.78 PTGIR (0.39) PTGIRCA1CA2ACHEMCHR1
SCHEMBL9045869 0.77 LMNA (0.51) ALDH1A1KMT2AMEN1GAA
SCHEMBL9047644 0.74 PTGIR (0.36) ALDH1A1KMT2APTGIR

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