SCHEMBL12284366

SCHEMBL12284366

COc1ccc(-c2nc(C(O)CCC(C)(O)C(F)(F)F)sc2-c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
ACHE P22303 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
PPARD Q03181 7/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL12284429 0.88 ALOX5 (0.40) ALOX5ACHEMAPTKDM4EALDH1A1
SCHEMBL13352180 0.82 ALOX5 (0.47) ALOX5ACHEMAPTKDM4EALDH1A1
SCHEMBL12284426 0.78 ALOX5 (0.48) ALOX5ACHEMAPTKDM4EALDH1A1
SCHEMBL12177033 0.76 ALOX5 (0.53) ALOX5ACHEMAPTKDM4EALDH1A1
SCHEMBL12461089 0.76 ALOX5 (0.41) ALOX5ACHEMAPTKDM4EALDH1A1
SCHEMBL12177038 0.72 ALOX5 (0.40) ALOX5ACHEMAPTKDM4EALDH1A1
SCHEMBL12286247 0.71 ALOX5 (0.48) ALOX5ACHEMAPTKDM4EALDH1A1
SCHEMBL11561024 0.71 ALDH1A1 (0.55) ALOX5MAPTKDM4EALDH1A1PPARD
SCHEMBL11562896 0.68 ALDH1A1 (0.58) ALOX5MAPTKDM4EALDH1A1PPARD
SCHEMBL12285979 0.68 ALOX5 (0.55) ALOX5ACHEMAPTKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011125838-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR URINE COLLECTION DISORDER 東レ株式会社 (JP) 2011-10-13 WO disclosed
WO-2011125836-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR FIBROMYALGIA 東レ株式会社 (JP) 2011-10-13 WO disclosed