SCHEMBL8601663

SCHEMBL8601663

O=C(O)COc1cccc2c3c(ccc12)CCC(NS(=O)(=O)/C=C/c1ccccc1)C3

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
PTGIR P43119 8/20 0.37
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 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
SCHEMBL8601664 1.00 HSP90AA1 (0.43) HSP90AA1MAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8602824 0.84 PTGIR (0.50) HSP90AA1MAPK1SMN1; SMN2PTGIR
SCHEMBL8602826 0.84 PTGIR (0.50) HSP90AA1MAPK1SMN1; SMN2PTGIR
SCHEMBL8601668 0.80 HSP90AA1 (0.44) HSP90AA1MAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8626804 0.73 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL8600090 0.73 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL8599525 0.73 PTGIR (0.48) HSP90AA1MAPK1SMN1; SMN2KDM4EPTGIR
SCHEMBL8599522 0.73 PTGIR (0.48) HSP90AA1MAPK1SMN1; SMN2KDM4EPTGIR
SCHEMBL10358272 0.73 TBXA2R (0.50) MTNR1AMTNR1BPTGIRMAPTCYP1A2
SCHEMBL8602989 0.72 PTGIR (0.42) ALDH1A1KDM4EHPGDTDP1PTGIR

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