SCHEMBL20141337

SCHEMBL20141337

Cc1cc(C)c(CC=O)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
IMPDH2 P12268 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL20270701 0.82 IMPDH2 (0.35) IMPDH2POLBL3MBTL1ALDH1A1
SCHEMBL23064180 0.82 KDM1A (0.35) IMPDH2ALDH1A1
SCHEMBL6064223 0.82 PGK1 (0.37) PGK1PGK2ALDH1A1
SCHEMBL15308626 0.82 NPSR1 (0.39) PGK1PGK2ALDH1A1
SCHEMBL26601688 0.79
SCHEMBL14742524 0.79 ALOX12 (0.35) IMPDH2POLBL3MBTL1ALDH1A1
SCHEMBL5014656 0.78 NOS3 (0.39) PGK1PGK2POLBL3MBTL1BCHE
SCHEMBL16011566 0.73 FFAR4 (0.36) POLBL3MBTL1ALDH1A1
SCHEMBL2223090 0.73 PYCR1 (0.44) POLBALDH1A1
SCHEMBL20141110 0.73 POLB (0.35) PGK1PGK2POLBL3MBTL1BCHE

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed