SCHEMBL686922

SCHEMBL686922

O=C(O)C[C@H](NC(=O)Nc1c(O)c2c(n(Cc3ccccc3Cl)c1=O)CCC2)c1cccc(OCC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
EGLN1 Q9GZT9 1/20 0.37
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
CTSA P10619 2/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
PTGER3 P43115 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 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
SCHEMBL687460 0.92 MEN1 (0.40) MEN1KMT2AEGLN1SLC16A3SLC16A1
SCHEMBL688605 0.91 MEN1 (0.41) MEN1KMT2ASLC16A3SLC16A1MCTS1
SCHEMBL686998 0.90 MEN1 (0.39) MEN1KMT2AEGLN1HPGDALDH1A1
SCHEMBL714563 0.90 CTSA (0.43) MEN1KMT2AEGLN1HPGDALDH1A1
SCHEMBL687341 0.90 MEN1 (0.41) MEN1KMT2AEGLN1HPGDALDH1A1
SCHEMBL687750 0.90 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688380 0.89 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688324 0.89 MEN1 (0.39) MEN1KMT2ASLC16A3SLC16A1MCTS1
SCHEMBL687676 0.89 KMT2A (0.43) MEN1KMT2ASLC16A3SLC16A1MCTS1
SCHEMBL688610 0.89 MEN1 (0.44) MEN1KMT2AEGLN1HPGDALDH1A1

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