SCHEMBL9628345

SCHEMBL9628345

CCOc1c(OC)cc(OC(C)=O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
TNFSF11 O14788 1/20 0.44
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BPTF Q12830 1/20 0.42
SLC2A1 P11166 1/20 0.41
ALOX5 P09917 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
PTGER4 P35408 2/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.40
SYK P43405 1/20 0.39
FPR1 P21462 1/20 0.39
NQO1 P15559 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
SCHEMBL9627470 0.91 HTT (0.59) HTTTSHRMAPTKDM4ETP53
SCHEMBL9628323 0.89 HTT (0.54) HTTTNFSF11TSHRMAPTKDM4E
SCHEMBL9628760 0.89 HTT (0.52) HTTTNFSF11TSHRMAPTKDM4E
SCHEMBL9660021 0.87 SLC2A1 (0.43) HTTMAPTKDM4EHSD17B10BPTF
SCHEMBL9627465 0.86 HTT (0.69) HTTTNFSF11TSHRMAPTKDM4E
SCHEMBL10698804 0.86 HTT (0.64) HTTTNFSF11TSHRMAPTKDM4E
SCHEMBL9627535 0.86 HTT (0.52) HTTTNFSF11TSHRMAPTKDM4E
SCHEMBL9629477 0.85 HTT (0.50) HTTALOX5
SCHEMBL9628598 0.85 HTT (0.63) HTTTSHRMAPTKDM4ETP53
SCHEMBL9660583 0.85 ALDH1A1 (0.47) HTTMAPTKDM4EGAAHSD17B10

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