SCHEMBL8142160

SCHEMBL8142160

CC(C)(C)c1cc(C(NCc2cccnc2)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
MC4R P32245 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL8143057 0.87 KMT2A (0.45) LMNAALDH1A1HTTMAPTL3MBTL1
SCHEMBL8144918 0.86 NR1H4 (0.43) LMNAALDH1A1HTTMAPTL3MBTL1
SCHEMBL8003353 0.77 HMGCR (0.47) LMNAALDH1A1HTTMAPTL3MBTL1
SCHEMBL8151087 0.74 MEN1 (0.50) ALDH1A1HTTMAPTSMN1; SMN2MAPK1
SCHEMBL8144613 0.73 MAPT (0.41) LMNAALDH1A1HTTMAPTL3MBTL1
SCHEMBL513250 0.72 L3MBTL1 (0.56) LMNAHTTMAPTL3MBTL1HPGD
SCHEMBL513249 0.72 L3MBTL1 (0.56) LMNAHTTMAPTL3MBTL1HPGD
SCHEMBL8437521 0.72 L3MBTL1 (0.56) LMNAHTTMAPTL3MBTL1HPGD
SCHEMBL15162462 0.71 ALDH1A1 (0.65) LMNAALDH1A1HTTMAPTL3MBTL1
SCHEMBL8150109 0.71 MAPT (0.46) LMNAALDH1A1HTTMAPTHPGD

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
US-6017918-A Phenyl glycine compounds and methods of treating atherosclerosis and restenosis WARNER-LAMBERT COMPANY (US) 2000-01-25 US disclosed