SCHEMBL9628133

SCHEMBL9628133

CCCc1c(OC)c(O)c2ccc(Cl)cc2c1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.61
SIRT1 Q96EB6 2/20 0.39
ALOX5 P09917 2/20 0.36
LMNA P02545 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD2 P14416 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL9628166 0.90 ABCB11 (0.72) ABCB11SIRT1ALOX5LMNAKDM4E
SCHEMBL9627448 0.90 ABCB11 (0.72) ABCB11SIRT1ALOX5LMNAKDM4E
SCHEMBL9629355 0.86 LDHA (0.48) ABCB11ALOX5LMNAPDE4APDE4B
SCHEMBL9629384 0.85 ABCB11 (0.65) ABCB11SIRT1ALOX5LMNAPDE4A
SCHEMBL9657954 0.83 ABCB11 (0.42) ABCB11SIRT1ALOX5LMNAKDM4E
SCHEMBL9654924 0.83 ABCB11 (0.42) ABCB11SIRT1ALOX5LMNAKDM4E
SCHEMBL9642000 0.83 ABCB11 (0.83) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9629359 0.81 ABCB11 (0.69) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642961 0.80 ABCB11 (0.76) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9641850 0.78 ABCB11 (0.83) ABCB11PDE4APDE4BPDE4CPDE4D

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