SCHEMBL17680658

SCHEMBL17680658

Bc1ccc(F)c(C(=O)C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.41
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MGLL Q99685 2/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CPS1 P31327 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD11B1 P28845 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 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
SCHEMBL13398 0.86 CPS1 (0.46) HTR1FALDH1A1KMT2AMEN1MGLL
SCHEMBL1173693 0.79 DGAT1 (0.44) HTR1FALDH1A1KMT2AMEN1MGLL
SCHEMBL6896656 0.76 MEN1 (0.51) HTR1FALDH1A1KMT2AMEN1MGLL
SCHEMBL28026652 0.76 CES2 (0.52) HTR1FALDH1A1KMT2AMEN1CES2
SCHEMBL28026650 0.76 CES2 (0.52) HTR1FALDH1A1KMT2AMEN1CES2
SCHEMBL16006491 0.75 CES2 (0.43) ALDH1A1KMT2AMEN1CES2CES1
SCHEMBL14553949 0.75 CES2 (0.43) ALDH1A1CES2CES1TSHRLMNA
SCHEMBL17682929 0.75 CPS1 (0.59) ALDH1A1KMT2AMEN1MGLLCPS1
SCHEMBL23612343 0.73 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MGLLMAPT
SCHEMBL29591363 0.73 CES2 (0.56) ALDH1A1KMT2AMEN1MGLLCES2

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-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed