SCHEMBL9629291

SCHEMBL9629291

CCCCOc1cc(O)c2ccccc2c1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
GAA P10253 3/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PTGS2 P35354 7/20 0.45
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
KCNH2 Q12809 2/20 0.41
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 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
SCHEMBL9627812 0.95 MAPT (0.55) MAPTGAAHTTKDM4ETP53
SCHEMBL9627640 0.93 MAPT (0.58) MAPTGAAHTTKDM4ETP53
SCHEMBL9627568 0.89 HTT (0.52) MAPTGAAHTTKDM4ETP53
SCHEMBL9628040 0.88 HTT (0.58) MAPTGAAHTTKDM4ETP53
SCHEMBL9629361 0.87 MAPT (0.61) MAPTGAAHTTKDM4ETP53
SCHEMBL9660327 0.84 HTT (0.50) MAPTGAAHTTKDM4ETP53
SCHEMBL9627747 0.84 HTT (0.57) MAPTGAAHTTKDM4ETP53
SCHEMBL9627400 0.83 HTT (0.56) MAPTGAAHTTKDM4ETP53
SCHEMBL9628087 0.83 HTT (0.56) MAPTGAAHTTKDM4ETP53
SCHEMBL9628363 0.82 HTT (0.55) MAPTGAAHTTKDM4ETP53

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
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed