SCHEMBL8601220

SCHEMBL8601220

CC(C)(C)OC(=O)NCc1cccc2c(O)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.49
KCNA5 P22460 1/20 0.46
NAMPT P43490 2/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KDM4A O75164 1/20 0.44
HDAC1 Q13547 1/20 0.43
PARP1 P09874 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLS O94925 2/20 0.40
CYP1A2 P05177 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
CA1 P00915 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
SCHEMBL13656743 0.93 NQO2 (0.51) NQO2KCNA5NAMPTHDAC10HDAC6
SCHEMBL5792738 0.85 KCNA5 (0.52) NQO2KCNA5NAMPTHDAC10HDAC6
SCHEMBL16415869 0.83 RPS6KA1 (0.49) NQO2KCNA5NAMPTHDAC10HDAC6
SCHEMBL8018113 0.81 KCNA5 (0.56) NQO2KCNA5NAMPTHDAC10HDAC6
SCHEMBL30159605 0.81 KCNA5 (0.56) NQO2KCNA5NAMPTHDAC10HDAC6
SCHEMBL13612034 0.81 MEN1 (0.39) NQO2MEN1GAAKMT2ACA2
SCHEMBL12305689 0.80 KCNA5 (0.60) NQO2KCNA5NAMPTHDAC10HDAC6
SCHEMBL18300396 0.79 KLKB1 (0.46) NQO2KCNA5NAMPTHDAC10HDAC6
SCHEMBL6874894 0.79 KCNA5 (0.52) NQO2KCNA5NAMPTHDAC10HDAC6
SCHEMBL30454240 0.79 KCNA5 (0.52) NQO2KCNA5NAMPTHDAC10HDAC6

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 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