SCHEMBL9048014

SCHEMBL9048014

O=C(O)C(=O)c1cccc2c1CCCC2CCC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.43
SIGMAR1 Q99720 3/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
SLC6A4 P31645 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL9427077 0.94 SIGMAR1 (0.44) PTGIRSIGMAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL9427323 0.89 SIGMAR1 (0.40) PTGIRSIGMAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL9048458 0.89 PTGIR (0.45) PTGIRSIGMAR1ALDH1A1HTTMEN1
SCHEMBL9048482 0.85 PTGIR (0.48) PTGIRSIGMAR1KDM4C
SCHEMBL9048041 0.83 PTGIR (0.47) PTGIRSIGMAR1KDM4C
SCHEMBL9567967 0.81 TRPV1 (0.44) ALDH1A1HTTKDM4C
SCHEMBL9048020 0.81 PTGIR (0.67) PTGIRSIGMAR1KDM4C
SCHEMBL9048669 0.80 MEN1 (0.42) ALDH1A1HTTNPSR1SLC6A5MEN1
SCHEMBL9048016 0.80 PTGIR (0.48) PTGIRSIGMAR1KDM4C
SCHEMBL9049779 0.80 PTGIR (0.44) PTGIRSIGMAR1KDM4C

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