SCHEMBL9629285

SCHEMBL9629285

COC1=C(C)C(=O)c2ccc(C)cc2C1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.70
MAOB P27338 1/20 0.70
CDC25A P30304 2/20 0.68
CDC25B P30305 2/20 0.68
ELANE P08246 1/20 0.62
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
POLB P06746 3/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAP2K7 O14733 1/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL9642524 0.92 ELANE (0.67) MAOAMAOBCDC25ACDC25BELANE
SCHEMBL571353 0.83 MAOA (1.00) MAOAMAOBCDC25ACDC25BELANE
SCHEMBL30905230 0.83 MAOA (1.00) MAOAMAOBCDC25ACDC25BELANE
SCHEMBL5811522 0.83 CDC25A (0.66) MAOAMAOBCDC25ACDC25BALDH1A1
SCHEMBL9627948 0.81 CDC25A (0.63) MAOAMAOBCDC25ACDC25BELANE
SCHEMBL3414838 0.81 CDC25B (1.00) CDC25ACDC25BALDH1A1MAPTPOLB
SCHEMBL30002742 0.81 CDC25B (1.00) CDC25ACDC25BALDH1A1MAPTPOLB
SCHEMBL9641890 0.80 ELANE (0.52) MAOAMAOBCDC25ACDC25BELANE
SCHEMBL9627431 0.79 CDC25A (0.65) MAOAMAOBCDC25ACDC25BELANE
SCHEMBL9629411 0.79 CDC25A (0.65) MAOAMAOBCDC25ACDC25BELANE

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 7 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-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 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
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed