SCHEMBL9628241

SCHEMBL9628241

CCCc1c(OC)c(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
IDO1 P14902 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPK1 P28482 1/20 0.41
NCEH1 Q6PIU2 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
SCHEMBL9627497 0.90 ALOX5 (0.48) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL12708461 0.89 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627438 0.89 ALOX5 (0.49) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627613 0.88 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9628428 0.88 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9629394 0.88 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627780 0.87 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9629440 0.85 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627592 0.85 ABCB11 (0.51) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627448 0.84 ABCB11 (0.72) KDM4EALDH1A1SMN1; SMN2HTTMAPT

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