SCHEMBL8623938

SCHEMBL8623938

O=C(O)COc1cccc2c(S(=O)(=O)NCCCCc3ccccc3)cccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
MAPK1 P28482 2/20 0.61
FABP4 P15090 4/20 0.54
NSD2 O96028 2/20 0.51
HPGD P15428 1/20 0.47
TBXA2R P21731 1/20 0.46
TBXAS1 P24557 1/20 0.46
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL8624405 0.92 NSD2 (0.60) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL8604566 0.85 NSD2 (0.59) ALDH1A1KDM4ETDP1FABP4NSD2
SCHEMBL8627845 0.78 KDM4E (0.50) ALDH1A1KDM4ETDP1FABP4HPGD
SCHEMBL29508099 0.76 CYP3A4 (1.00) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL317956 0.76 CYP3A4 (1.00) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL17383734 0.75 CYP3A4 (0.68) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL14919628 0.75 NSD2 (0.83) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL11372267 0.74 TBXA2R (0.69) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL8625506 0.73 KDM4E (0.50) ALDH1A1KDM4ETDP1HPGDTBXA2R
SCHEMBL8625004 0.73 KDM4E (0.50) ALDH1A1KDM4ETDP1HPGDTBXA2R

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