SCHEMBL688268

SCHEMBL688268

O=C(O)C[C@H](NC(=O)Nc1c(O)c2c(n(Cc3ccccc3Cl)c1=O)CCC2)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
EGLN1 Q9GZT9 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP12 P39900 1/20 0.36
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
ITGB8 P26012 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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 0.93 MEN1 (0.40) MAPTEGLN1EGLN2EGLN3ITGB3
SCHEMBL687949 0.91 KMT2A (0.38) MAPTEGLN1EGLN3ITGB1ITGA4
SCHEMBL688522 0.90 EGLN1 (0.47) MAPTEGLN1EGLN2EGLN3MEN1
SCHEMBL688444 0.90 MEN1 (0.43) MAPTEGLN1EGLN3MEN1KMT2A
SCHEMBL688572 0.90 MEN1 (0.47) MAPTEGLN1EGLN3ITGB3ITGAV
SCHEMBL688052 0.89 MEN1 (0.44) MAPTEGLN1MEN1KMT2AALDH1A1
SCHEMBL687806 0.89 MEN1 (0.41) MAPTEGLN1MEN1KMT2AALDH1A1
SCHEMBL688349 0.89 MEN1 (0.41) MAPTEGLN1MEN1KMT2AALDH1A1
SCHEMBL687331 0.88 MEN1 (0.41) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL686998 0.87 MEN1 (0.39) MAPTEGLN1EGLN3ITGB3ITGAV

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