SCHEMBL9628689

SCHEMBL9628689

COc1c(CC(C)C)c(O)c2ccccc2c1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KDM4E B2RXH2 7/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NLRP3 Q96P20 1/20 0.37
MAPK1 P28482 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
SCHEMBL9627337 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9628418 0.85 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9642268 0.79 ABCB11 (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9627928 0.78 KDM4E (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9643280 0.77 ABCB11 (0.64) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9629394 0.77 KDM4E (0.56) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9627963 0.77 KDM4E (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9628192 0.77 KDM4E (0.44) KDM4EHTTMAPTHSD17B10TP53
SCHEMBL9628130 0.76 KDM4E (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9642040 0.76 ABCB11 (0.62) PDE4APDE4BPDE4CPDE4DKDM4E

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