SCHEMBL16660875

SCHEMBL16660875

CCCCOc1ccc(-c2ccc(-c3cc(Br)c(C(F)(F)F)n3COCC[Si](C)(C)C)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 6/20 0.38
CYP19A1 P11511 6/20 0.38
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP1A2 P05177 4/20 0.38
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
CYP3A4 P08684 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16790070 0.83 DGAT1 (0.46) DGAT1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL16790071 0.82 DGAT1 (0.47) DGAT1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL16660871 0.81 DGAT1 (0.45) DGAT1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL16660864 0.79 DGAT1 (0.45) DGAT1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL16790126 0.78 DGAT1 (0.46) DGAT1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL16790125 0.76 DGAT1 (0.47) DGAT1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL16787668 0.72 DGAT1 (0.50) DGAT1KDM4EHPGDL3MBTL1MAPT
SCHEMBL20428490 0.71 DGAT1 (0.56) DGAT1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL16787672 0.71 DGAT1 (0.51) DGAT1MAPT
SCHEMBL16787732 0.69 DGAT1 (0.47) DGAT1KDM4EALDH1A1HPGDL3MBTL1

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
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 EP disclosed