SCHEMBL8601668

SCHEMBL8601668

O=C(O)C(O)c1cccc2c3c(ccc12)CCC(NS(=O)(=O)C=Cc1ccccc1)C3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL8601663 0.80 HSP90AA1 (0.43) HSP90AA1MAPK1SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL8601664 0.80 HSP90AA1 (0.43) HSP90AA1MAPK1SMN1; SMN2ALDH1A1MTNR1A
SCHEMBL10465600 0.72 TBXA2R (0.47) MTNR1AMTNR1BKMT2AMEN1CA1
SCHEMBL8602992 0.71 ADRB3 (0.31) SMN1; SMN2POLBMAPT
SCHEMBL10465520 0.67 TBXA2R (0.58) HTTALDH1A1GAAKDM4ELMNA
SCHEMBL8602826 0.67 PTGIR (0.50) HSP90AA1MAPK1SMN1; SMN2CA1CA2
SCHEMBL8602824 0.67 PTGIR (0.50) HSP90AA1MAPK1SMN1; SMN2CA1CA2
SCHEMBL10462980 0.66 TBXA2R (0.54) KMT2AMEN1CA1CA2TBXA2R
SCHEMBL4217251 0.63 HSP90AA1 (0.46) HSP90AA1MAPK1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4217244 0.63 HSP90AA1 (0.46) HSP90AA1MAPK1SMN1; SMN2ALDH1A1KMT2A

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
EP-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP disclosed
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