SCHEMBL8624129

SCHEMBL8624129

COc1ccc(/C=C/S(=O)(=O)NCCc2cccc3c(OCC(=O)O)cccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
FFAR1 O14842 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MTNR1B P49286 3/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2C P28335 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
SCHEMBL8624132 1.00 MTNR1A (0.42) MTNR1ALMNAGAAALDH1A1PPARG
SCHEMBL8623924 0.90 GAA (0.51) MTNR1ALMNAGAAALDH1A1KDM4E
SCHEMBL8625020 0.90 GAA (0.51) MTNR1ALMNAGAAALDH1A1KDM4E
SCHEMBL8622925 0.89 GAA (0.42) MTNR1ALMNAGAAALDH1A1KDM4E
SCHEMBL8624280 0.89 GAA (0.42) MTNR1ALMNAGAAALDH1A1KDM4E
SCHEMBL8623815 0.84 GAA (0.55) LMNAGAAALDH1A1KDM4EMEN1
SCHEMBL8623814 0.84 GAA (0.55) LMNAGAAALDH1A1KDM4EMEN1
SCHEMBL8623518 0.82 GAA (0.46) MTNR1ALMNAGAAALDH1A1KDM4E
SCHEMBL8624755 0.82 GAA (0.46) MTNR1ALMNAGAAALDH1A1KDM4E
SCHEMBL8623967 0.82 GAA (0.44) LMNAGAAALDH1A1LTB4RLTB4R2

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 4 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
EP-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP 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