SCHEMBL9713744

SCHEMBL9713744

CCOC1=CC(=O)c2cc(Sc3ccc(OC)cc3)ccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.46
CDC25B P30305 2/20 0.43
PTPRC P08575 1/20 0.43
P4HB P07237 4/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
IDO1 P14902 1/20 0.39
CDC25A P30304 1/20 0.39
MEN1 O00255 1/20 0.39
NSD2 O96028 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
BCL2 P10415 4/20 0.37
MCL1 Q07820 4/20 0.37
PTGIR P43119 3/20 0.36
PTPN1 P18031 1/20 0.35
G6PD P11413 1/20 0.34
CCR6 P51684 1/20 0.34

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
SCHEMBL11252090 0.85 CDC25B (0.50) GAPDHCDC25BPTPRCCES2CES1
SCHEMBL9643147 0.82 BCL2 (0.44) PTPRCP4HBMEN1NSD2KMT2A
SCHEMBL11252510 0.80 GAPDH (0.50) GAPDHCDC25BPTPRCCES2CES1
SCHEMBL9713600 0.80 CDC25B (0.53) GAPDHCDC25BPTPRCIDO1CDC25A
SCHEMBL9713721 0.79 P4HB (0.44) GAPDHP4HBCES2CES1IDO1
SCHEMBL9628193 0.77 CDC25B (0.54) GAPDHCDC25BPTPRCCES2CES1
SCHEMBL9713780 0.76 IDO1 (0.50) GAPDHCDC25BP4HBCES2CES1
SCHEMBL9713431 0.76 BCL2 (0.54) GAPDHCDC25BCES2CES1IDO1
SCHEMBL9627491 0.74 CDC25B (0.53) GAPDHCDC25BPTPRCCES2CES1
SCHEMBL9713793 0.73 CDC25B (0.53) GAPDHCDC25BPTPRCIDO1CDC25A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed