SCHEMBL9629480

SCHEMBL9629480

COc1c(-c2ccccc2)c(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.70
PDE4B Q07343 4/20 0.70
PDE4C Q08493 4/20 0.70
PDE4D Q08499 4/20 0.70
ABCB11 O95342 1/20 0.49
BACE1 P56817 3/20 0.48
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
IDO1 P14902 1/20 0.47
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9657918 0.87 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9713412 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9643280 0.84 ABCB11 (0.64) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9656672 0.83 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9642040 0.83 ABCB11 (0.62) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL11780453 0.78 KDM4E (0.61) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9642256 0.78 ABCB11 (0.61) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9629451 0.78 KDM4E (0.54) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9627620 0.78 KDM4E (0.56) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9641654 0.78 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DBACE1

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