SCHEMBL9627337

SCHEMBL9627337

COc1c(CC(C)C)c(OC(C)=O)c2ccccc2c1O

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 6/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ABCB11 O95342 1/20 0.40
BACE1 P56817 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL9628689 0.89 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9628130 0.85 KDM4E (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9628192 0.80 KDM4E (0.44) KDM4EHTTMAPTTP53GAA
SCHEMBL9642268 0.79 ABCB11 (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9627757 0.78 ALOX5 (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9627945 0.77 KDM4E (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9628418 0.76 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9643336 0.76 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9627594 0.75 KMT2A (0.37) KDM4EMAPTGAAHSD17B10ALDH1A1
SCHEMBL9812680 0.75 KDM4E (0.57) 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