SCHEMBL9627356

SCHEMBL9627356

COc1c(C)c(OC(C)=O)c2cc(OCc3ccccc3)ccc2c1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PTPN1 P18031 1/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.43
MGAM O43451 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MDH2 P40926 1/20 0.42
MAOA P21397 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9627496 0.91 CASP3 (0.48) MAOBCASP3SENP8SENP7SENP6
SCHEMBL9628194 0.87 MAOB (0.48) MAOBCASP3SENP8SENP7SENP6
SCHEMBL9627800 0.85 ABCB11 (0.43) BACE1GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL9657125 0.85 MAOB (0.49) MAOBCASP3SENP8SENP7SENP6
SCHEMBL9643230 0.80 ABCB11 (0.44) MAOBACHEBACE1MAOA
SCHEMBL9627945 0.78 KDM4E (0.54) BACE1GAAALDH1A1HPGDSMN1; SMN2
SCHEMBL3168318 0.77 MGAM (0.56) MAOBACHEMGAMGAASI
SCHEMBL9643309 0.76 ABCB11 (0.44) MAOBACHEBACE1MAOA
SCHEMBL9628545 0.75 ABCB11 (0.51) GAAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL9629359 0.74 ABCB11 (0.69) BACE1GAAKDM4E

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