SCHEMBL9628040

SCHEMBL9628040

CCCCOc1cc(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
PTGS2 P35354 9/20 0.46
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC2A1 P11166 2/20 0.43
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 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
SCHEMBL9627747 0.96 HTT (0.57) HTTPTGS2CNR1CNR2GAA
SCHEMBL9627568 0.96 HTT (0.52) HTTPTGS2CNR1CNR2GAA
SCHEMBL9628087 0.95 HTT (0.56) HTTPTGS2CNR1CNR2GAA
SCHEMBL9627400 0.95 HTT (0.56) HTTPTGS2CNR1CNR2GAA
SCHEMBL9628363 0.94 HTT (0.55) HTTPTGS2CNR1CNR2GAA
SCHEMBL9627873 0.93 HTT (0.60) HTTPTGS2CNR1CNR2GAA
SCHEMBL9660327 0.90 HTT (0.50) HTTPTGS2CNR1CNR2GAA
SCHEMBL9658121 0.89 HTT (0.52) HTTPTGS2CNR1CNR2MAPT
SCHEMBL9629291 0.88 MAPT (0.57) HTTPTGS2CNR1CNR2GAA
SCHEMBL9628598 0.87 HTT (0.63) HTTPTGS2GAAKDM4ETP53

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 8 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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 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
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed