SCHEMBL9713857

SCHEMBL9713857

Cc1ccc(OC2=CC(=O)c3cc(C)ccc3C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.60
CES1 P23141 7/20 0.60
GAPDH P04406 4/20 0.56
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ELANE P08246 1/20 0.44
S100A4 P26447 1/20 0.44
P4HB P07237 1/20 0.43
ALKBH3 Q96Q83 1/20 0.41
IDO1 P14902 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
LCK P06239 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9849815 0.85 CES2 (0.77) CES2CES1GAPDHMAOAMAOB
SCHEMBL9627801 0.81 CDC25A (0.62) CES2CES1GAPDHMAOAMAOB
SCHEMBL9713675 0.77 CES2 (0.60) CES2CES1GAPDHMAOAMAOB
SCHEMBL9627491 0.77 CDC25B (0.53) CES2CES1GAPDHMAOAMAOB
SCHEMBL17594909 0.75 GAPDH (0.89) CES2CES1GAPDHMAOAMAOB
SCHEMBL9654781 0.75 GAPDH (0.69) CES2CES1GAPDHMAOAMAOB
SCHEMBL9628489 0.75 CDC25A (0.62) GAPDHMAOAMAOBELANES100A4
SCHEMBL5820386 0.73 ALDH1A1 (0.61) MAOAMAOBELANEALKBH3IDO1
SCHEMBL9628251 0.72 CES1 (0.77) CES2CES1GAPDHP4HBIDO1
SCHEMBL29647693 0.72 CES1 (0.77) CES2CES1GAPDHP4HBIDO1

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