SCHEMBL840740

SCHEMBL840740

CCCC(NC(=O)c1ccco1)(C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
HPGD P15428 2/20 0.39
ADORA3 P0DMS8 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
SCHEMBL840739 1.00 KMT2A (0.43) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL838833 0.83 KMT2A (0.51) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL838834 0.83 KMT2A (0.51) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4476068 0.81 KMT2A (0.51) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4476063 0.81 KMT2A (0.51) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL839053 0.76 KMT2A (0.44) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL839052 0.76 KMT2A (0.44) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL7604606 0.76 PTPN1 (0.43) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL840738 0.75 ALDH1A1 (0.46) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL28775044 0.75 ALDH1A1 (0.46) 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