SCHEMBL8601613

SCHEMBL8601613

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GLO1 Q04760 2/20 0.49
ACLY P53396 2/20 0.48
PTGES2 Q9H7Z7 3/20 0.48
MMP8 P22894 2/20 0.43
MMP12 P39900 2/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.43
MMP7 P09237 1/20 0.43
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43
BRAF P15056 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.40
TBXA2R P21731 1/20 0.39

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
SCHEMBL8600392 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1
SCHEMBL8625004 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1MMP8
SCHEMBL8625506 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1MMP8
SCHEMBL5493609 0.77 CASP1 (0.50) KDM4EALDH1A1HPGDTDP1ACLY
SCHEMBL8626804 0.75 ALDH1A1 (0.55) KDM4EALDH1A1HPGDTDP1PTGES2
SCHEMBL8600090 0.75 ALDH1A1 (0.55) KDM4EALDH1A1HPGDTDP1PTGES2
SCHEMBL8603602 0.75 ALDH1A1 (0.49) KDM4EALDH1A1HPGDTDP1ACLY
SCHEMBL8624405 0.74 NSD2 (0.60) KDM4EALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL10054968 0.74 ACLY (0.71) KDM4EALDH1A1HPGDGLO1ACLY
SCHEMBL7958541 0.73 PTGIR (0.55) KDM4EALDH1A1HPGDTDP1MMP8

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
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
EP-0657422-A1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-14 EP disclosed