SCHEMBL8627326

SCHEMBL8627326

COc1ccc(C(CS(=O)(=O)NCCc2cccc3c(OCC(=O)O)cccc23)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.48
MTNR1B P49286 9/20 0.48
NQO2 P16083 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL8625156 0.92 KDM4E (0.50) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL9230541 0.87 MTNR1A (0.48) MTNR1AMTNR1BNQO2TDP1HTR2C
SCHEMBL8623913 0.86 KDM4E (0.46) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8627320 0.83 MTNR1A (0.50) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL8624129 0.79 MTNR1A (0.42) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8624132 0.79 MTNR1A (0.42) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL8623636 0.79 ALDH1A1 (0.41) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL8625004 0.78 KDM4E (0.50) MTNR1AMTNR1BNQO2KDM4EALDH1A1
SCHEMBL7958710 0.78 PTGIR (0.64) MTNR1AKDM4EALDH1A1HPGDTDP1
SCHEMBL8624608 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1

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