SCHEMBL687111

SCHEMBL687111

Cn1ccc2ccc([C@H](CC(=O)O)NC(=O)Nc3c(O)c4c(n(Cc5ccccc5Cl)c3=O)CCC4)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 6/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
CTSA P10619 2/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGER3 P43115 2/20 0.33
PPARG P37231 1/20 0.33
HMGCR P04035 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32

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
SCHEMBL687848 0.94 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL688345 0.88 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL688166 0.88 MEN1 (0.37) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL688226 0.87 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL688349 0.87 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL688265 0.87 PTGER3 (0.42) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL688444 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL688454 0.86 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL688610 0.86 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL687331 0.86 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed