SCHEMBL8602989

SCHEMBL8602989

O=C(O)COc1cccc2c3c(ccc12)CCC(S(=O)(=O)NCC(c1ccccc1)c1ccccc1)C3

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRB3 P13945 3/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL8602992 0.81 ADRB3 (0.31) ADRB3ADRB1
SCHEMBL8627845 0.73 KDM4E (0.50) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL8601663 0.72 HSP90AA1 (0.43) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL8601664 0.72 HSP90AA1 (0.43) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL8624608 0.70 KDM4E (0.46) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL9046604 0.67 PTGIR (0.63) PTGIR
SCHEMBL9048750 0.65 PTGIR (0.69) PTGIR
SCHEMBL8625156 0.64 KDM4E (0.50) PTGIRKDM4EALDH1A1HPGDTDP1
SCHEMBL10358272 0.64 TBXA2R (0.50) PTGIR
SCHEMBL8858437 0.63 PTGIR (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP claimed
US-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US claimed
EP-0657422-A1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-14 EP claimed
US-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US disclosed
US-5624959-A INHIBITING UTERINE CONTRACTIONS, PROSTAGLANDIN ANTAGONIST OR AGONIST, ANALGESICS AND ANTISECRETORY AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0657422-A1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-14 EP disclosed