SCHEMBL5546215

SCHEMBL5546215

CCc1c(Br)ccc(OC(F)F)c1CC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
KCNH2 Q12809 3/20 0.30
GRIN2B Q13224 3/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16797109 0.73 RXRA (0.31) MBOAT4
SCHEMBL26023236 0.73 CYP1A2 (0.41) ALDH1A1KMT2AMAPT
SCHEMBL16797152 0.71 VEGFA (0.32) ALDH1A1
SCHEMBL16797141 0.70 KMT2A (0.39) ALDH1A1MEN1KMT2AHTTKCNH2
SCHEMBL25767325 0.70 SLC6A2 (0.46) ALDH1A1MEN1KMT2AHTTKCNH2
SCHEMBL16955539 0.70 MEN1 (0.35) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL19606074 0.69 ALDH1A1 (0.44) MBOAT4ALDH1A1MEN1KMT2AHTT
SCHEMBL16952605 0.69 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL15657770 0.69 MBOAT4 (0.35) MBOAT4MEN1KMT2AHTTL3MBTL1
SCHEMBL16955538 0.69 KMT2A (0.34) ALDH1A1MEN1KMT2AHTTMAPT

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
EP-1805158-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR Kalypsys, Inc. (US) 2007-07-11 EP disclosed
WO-2006055187-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2006-05-26 WO disclosed