SCHEMBL9628409

SCHEMBL9628409

CCOc1cc(OCC)c2ccccc2c1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SLC2A1 P11166 2/20 0.45
TSHR P16473 4/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL9628598 0.95 HTT (0.63) HTTMAPTKDM4ETP53GAA
SCHEMBL9627535 0.93 HTT (0.52) HTTMAPTKDM4ETP53GAA
SCHEMBL9628760 0.93 HTT (0.52) HTTMAPTKDM4ETP53GAA
SCHEMBL9627470 0.89 HTT (0.59) HTTMAPTKDM4ETP53GAA
SCHEMBL9629361 0.88 MAPT (0.61) HTTMAPTKDM4ETP53GAA
SCHEMBL9627568 0.87 HTT (0.52) HTTMAPTKDM4ETP53GAA
SCHEMBL9627605 0.86 SLC2A1 (0.44) HTTMAPTKDM4EGAASLC2A1
SCHEMBL9660597 0.85 CASP3 (0.44) HTTMAPTKDM4EGAAHSD17B10
SCHEMBL9659440 0.85 SLC2A1 (0.46) HTTKDM4EGAAHSD17B10SLC2A1
SCHEMBL9660327 0.84 HTT (0.50) HTTMAPTKDM4ETP53GAA

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-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene 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