SCHEMBL9628374

SCHEMBL9628374

COc1c(C)c(OC(C)=O)c2cccc(OC)c2c1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
MAPT P10636 6/20 0.43
GAA P10253 5/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 3/20 0.43
RECQL P46063 2/20 0.43
APEX1 P27695 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCB11 O95342 1/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 3/20 0.41
MCL1 Q07820 2/20 0.41
HPGD P15428 2/20 0.41
EDNRA P25101 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9641706 0.89 ABCB11 (0.53) HTTMAPTGAAKDM4EALDH1A1
SCHEMBL9627920 0.87 KDM4E (0.46) HTTMAPTGAAKDM4EALDH1A1
SCHEMBL9643583 0.82 ABCB11 (0.46) HTTMAPTGAAKDM4EALDH1A1
SCHEMBL9627616 0.81 KDM4E (0.54) HTTMAPTGAAKDM4EALDH1A1
SCHEMBL9629451 0.81 KDM4E (0.54) HTTMAPTGAAKDM4EALDH1A1
SCHEMBL29787115 0.79 MAPT (0.39) HTTMAPTGAAKDM4EALDH1A1
SCHEMBL9641744 0.79 SMN1; SMN2 (0.42) MAPTL3MBTL1ABCB11SMN1; SMN2PTPN1
SCHEMBL9627620 0.78 KDM4E (0.56) HTTMAPTGAAKDM4EALDH1A1
SCHEMBL9627528 0.78 HTT (0.48) HTTMAPTGAAKDM4EALDH1A1
SCHEMBL9641936 0.77 ABCB11 (0.49) HTTMAPTGAAKDM4EALDH1A1

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