SCHEMBL9048665

SCHEMBL9048665

O=C(CC(c1ccccc1)c1cccnc1)NCCC1CCCc2c(OC(=O)CO)cccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.46
KDM4C Q9H3R0 3/20 0.44
PTGIR P43119 7/20 0.43
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 3/20 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
SCHEMBL8858414 0.89 TBXAS1 (0.59) TBXAS1KDM4CPTGIRHPGDLMNA
SCHEMBL9049997 0.84 PTGIR (0.45) TBXAS1KDM4CPTGIRSIGMAR1
SCHEMBL9567997 0.82 HPGD (0.48) TBXAS1KDM4CHPGDLMNAHTT
SCHEMBL9051195 0.77 TBXAS1 (0.44) TBXAS1KDM4CPTGIR
SCHEMBL9048210 0.75 PTGIR (0.53) TBXAS1KDM4CPTGIRSIGMAR1
SCHEMBL8858624 0.75 TBXAS1 (0.59) TBXAS1KDM4CPTGIR
SCHEMBL9051694 0.74 PTGIR (0.52) KDM4CPTGIRSIGMAR1
SCHEMBL9048346 0.74 PTGIR (0.52) PTGIRSIGMAR1
SCHEMBL8858663 0.74 TBXAS1 (0.57) TBXAS1KDM4CPTGIRSIGMAR1
SCHEMBL9047809 0.73 TBXAS1 (0.43) TBXAS1KDM4CPTGIR

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