SCHEMBL1709353

SCHEMBL1709353

CCOC(=O)C[C@@H]1CC[C@@H](NC2CCCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
KDM1A O60341 1/20 0.44
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CCRL2 O00421 1/20 0.38
MAPT P10636 2/20 0.37
FFAR1 O14842 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TRPM2 O94759 1/20 0.36
FAAH O00519 1/20 0.35
ATM Q13315 2/20 0.35
MAOA P21397 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1709431 0.90 MAOB (0.45) MAOBKDM1ACCRL2ATMMAOA
SCHEMBL1709352 0.90 MAOB (0.45) MAOBKDM1ACCRL2ATMMAOA
SCHEMBL1709351 0.90 KDM1A (0.42) MAOBKDM1ACCRL2
SCHEMBL10032966 0.79 MAOA (0.35) MAOBKDM1ACCRL2FFAR1MAOA
SCHEMBL10032825 0.76 KDM1A (0.38) MAOBKDM1AALDH1A1KDM4EMAOA
SCHEMBL10033117 0.75 KDM1A (0.44) MAOBKDM1AALDH1A1KDM4EMAOA
SCHEMBL10188552 0.75 DGAT1 (0.46) GAAALDH1A1KDM4ECCRL2MAPT
SCHEMBL10033107 0.73 KDM1A (0.45) MAOBKDM1AMAOATDP1
SCHEMBL1709393 0.72 KDM4E (0.38) GAAALDH1A1KDM4EMAPTCYP11B1
SCHEMBL1709416 0.72 KDM1A (0.44) MAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed