SCHEMBL8625004

SCHEMBL8625004

O=C(O)COc1cccc2c(CCNS(=O)(=O)CCc3ccccc3)cccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP8 P22894 3/20 0.46
MMP12 P39900 3/20 0.46
MMP13 P45452 3/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
CASP1 P29466 3/20 0.46
TBXA2R P21731 1/20 0.44
TBXAS1 P24557 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MTNR1A P48039 3/20 0.43
NQO2 P16083 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MTNR1B P49286 2/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL8625506 0.96 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1MMP8
SCHEMBL8625156 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8624608 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1MMP8
SCHEMBL8623913 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8601613 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1MMP8
SCHEMBL7963013 0.79 TBXA2R (0.52) KDM4EALDH1A1HPGDTDP1MMP8
SCHEMBL8625020 0.78 GAA (0.51) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8623924 0.78 GAA (0.51) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8623133 0.78 TDP1 (0.45) KDM4EALDH1A1HPGDTDP1CASP1
SCHEMBL8624405 0.78 NSD2 (0.60) KDM4EALDH1A1HPGDTDP1TBXA2R

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 5 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-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-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