SCHEMBL687844

SCHEMBL687844

CCN(CC)c1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4c(C)cccc4Cl)c2=O)CCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 3/20 0.33
ALDH1A1 P00352 4/20 0.33
ITGB3 P05106 3/20 0.33
ITGAV P06756 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP26A1 O43174 1/20 0.32
GFER P55789 1/20 0.32
GHSR Q92847 2/20 0.31
CTSA P10619 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31
KDM4E B2RXH2 3/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
LCK P06239 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL687752 0.91 MEN1 (0.35) MEN1KMT2AHPGDALDH1A1ITGB3
SCHEMBL688932 0.91 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL686847 0.90 CTSA (0.40) MEN1KMT2AHPGDALDH1A1ITGB3
SCHEMBL687173 0.90 MEN1 (0.35) MEN1KMT2AHPGDALDH1A1ITGB3
SCHEMBL688106 0.90 KMT2A (0.41) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688395 0.88 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1ITGB3
SCHEMBL687858 0.88 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1ITGB3
SCHEMBL686898 0.88 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1ITGB3
SCHEMBL687042 0.88 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1ITGB3
SCHEMBL687271 0.87 KMT2A (0.39) MEN1KMT2AHPGDALDH1A1ITGB3

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