SCHEMBL688106

SCHEMBL688106

Cc1cccc(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3ccccc3)c1=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HMGCR P04035 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.35
CTSA P10619 3/20 0.35
CYP26A1 O43174 1/20 0.34
PYGL P06737 1/20 0.34
LCK P06239 1/20 0.34
MAPK1 P28482 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL687910 0.95 MEN1 (0.39) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL687363 0.94 MEN1 (0.41) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL686847 0.94 CTSA (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL688337 0.92 MEN1 (0.40) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL687817 0.92 MEN1 (0.36) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL686898 0.92 MEN1 (0.39) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL687271 0.91 KMT2A (0.39) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL688537 0.91 KEAP1 (0.39) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL687858 0.90 MEN1 (0.37) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL688395 0.90 MEN1 (0.37) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2

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