SCHEMBL9048971

SCHEMBL9048971

O=C(CC1CCc2c(C(=O)C(=O)O)cccc21)NOC(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.37
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HTR5A P47898 1/20 0.33
MTNR1B P49286 1/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
PPARD Q03181 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
UGCG Q16739 1/20 0.32

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
SCHEMBL9047720 0.94 PTGIR (0.43) PTGIRUGCG
SCHEMBL9051691 0.84 PTGIR (0.46) PTGIR
SCHEMBL9051607 0.84 KMT2A (0.43) SLC6A4SLC6A3KDM4EALDH1A1LMNA
SCHEMBL9048858 0.81 PTGIR (0.46) PTGIRUGCG
SCHEMBL9048983 0.81 PTGIR (0.57) PTGIR
SCHEMBL9048978 0.81 PTGIR (0.41) PTGIR
SCHEMBL9567993 0.81 PRMT5 (0.49) PRMT5WDR77MTNR1BPPARDUGCG
SCHEMBL9046164 0.77 PTGIR (0.37) PTGIRPRMT5WDR77DRD4SLC6A3
SCHEMBL9050611 0.77 KMT2A (0.44) PTGIRSLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL9048910 0.77 PTGIR (0.41) PTGIR

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