SCHEMBL14366362

SCHEMBL14366362

Bc1ccc(C)c(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
SIRT3 Q9NTG7 1/20 0.46
MAPK1 P28482 1/20 0.41
NNMT P40261 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PARP1 P09874 1/20 0.35
MAPT P10636 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
SCHEMBL14366361 0.81 MCL1 (0.43) MEN1KMT2APOLBALDH1A1
SCHEMBL13283441 0.80 DGAT1 (0.41) TDP1SIRT3MAPK1NNMTMEN1
SCHEMBL24201744 0.78 ALDH1A1 (0.37) TDP1SIRT3MAPK1NNMTMEN1
SCHEMBL1003845 0.78 MEN1 (0.53) TDP1SIRT3MAPK1SMN1; SMN2MEN1
SCHEMBL6825758 0.77 PARP1 (0.50) TDP1SIRT3MAPK1NNMTSMN1; SMN2
SCHEMBL328278 0.77 CASP1 (0.50) TDP1SIRT3MAPK1NNMTMEN1
Hydrochloric Acid SCHEMBL28266821 0.77 MEN1 (0.52) TDP1SIRT3MAPK1SMN1; SMN2MEN1
SCHEMBL4950195 0.77 TDP1 (0.47) TDP1SIRT3MAPK1NNMTSMN1; SMN2
SCHEMBL6128269 0.77 KDM4E (0.50) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL14683982 0.76 POLB (0.40) SMN1; SMN2POLBMAPT

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-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed