SCHEMBL9628221

SCHEMBL9628221

CC(=O)Oc1cc(OCC(C)C)c(OC(C)=O)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 3/20 0.42
DHODH Q02127 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.39
PTPN1 P18031 2/20 0.39
TOP1 P11387 1/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 1/20 0.38
ELANE P08246 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2D6 P10635 1/20 0.37
AKR1C3 P42330 1/20 0.37

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 0.84 HTT (0.63) HTTKDM4EHSD17B10TP53GAA
SCHEMBL7918996 0.83 HTT (0.75) HTTKDM4EHSD17B10TP53GAA
SCHEMBL10707292 0.83 MAPT (0.46) HTTHSD17B10GAAMAPTDHODH
SCHEMBL10710043 0.83 ELANE (0.41) HTTDHODHALDH1A1HIF1AELANE
SCHEMBL9627873 0.82 HTT (0.60) HTTKDM4EHSD17B10TP53GAA
SCHEMBL9627634 0.81 HTT (0.63) HTTKDM4EHSD17B10TP53GAA
SCHEMBL9628040 0.81 HTT (0.58) HTTKDM4EHSD17B10TP53GAA
SCHEMBL9627519 0.81 HTT (0.58) HTTKDM4EHSD17B10TP53GAA
SCHEMBL9628409 0.80 HTT (0.56) HTTKDM4EHSD17B10TP53GAA
SCHEMBL9627747 0.80 HTT (0.57) HTTKDM4EHSD17B10TP53GAA

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-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
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