SCHEMBL839052

SCHEMBL839052

CCC(Cc1ccc2ccccc2c1)(NC(=O)c1ccco1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL839053 1.00 KMT2A (0.44) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL839114 0.88 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL839115 0.88 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL839804 0.88 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL839742 0.83 GAA (0.49) KMT2AMAPTMEN1SMN1; SMN2NPSR1
SCHEMBL839239 0.83 GAA (0.49) KMT2AMAPTMEN1SMN1; SMN2NPSR1
SCHEMBL839240 0.83 GAA (0.49) KMT2AMAPTMEN1SMN1; SMN2NPSR1
SCHEMBL840335 0.83 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2HTT
SCHEMBL840334 0.83 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2HTT
SCHEMBL838465 0.82 RAB9A (0.49) KMT2AMAPTMEN1SMN1; SMN2LMNA

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-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed