SCHEMBL9660594

SCHEMBL9660594

COc1cc(OC)c2ccccc2c1OC(=O)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 2/20 0.40
▸ IMPDH1 P20839 2/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ SSTR5 P35346 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9659352 0.90 HTT (0.41) IMPDH2IMPDH1PLK1HTTKDM4E
SCHEMBL9657987 0.84 ALDH1A1 (0.50) PLK1HTTALOX15KDM4ECYP1A2
SCHEMBL9660357 0.82 ALDH1A1 (0.44) HTTKDM4ECYP1A2CYP2C9LMNA
SCHEMBL9628421 0.81 ELANE (0.45) PLK1HTTALOX15KDM4ETSHR
SCHEMBL9659345 0.80 HSD17B10 (0.46) PLK1HTTALOX15KDM4ECYP1A2
SCHEMBL9658188 0.80 MEN1 (0.43) PLK1HTTKDM4ELMNAATM
SCHEMBL9659078 0.80 ALDH1A1 (0.54) HTTKDM4ECYP1A2CYP2C9ATM
SCHEMBL9659017 0.80 ALDH1A1 (0.43) PLK1HTTALOX15MAPK14KDM4E
SCHEMBL9655015 0.79 ALDH1A1 (0.53) PLK1HTTKDM4ECYP1A2CYP2C9
SCHEMBL9627466 0.79 HTT (0.61) HTTALOX15KDM4ECYP1A2CYP2C9

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 3 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
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
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