SCHEMBL714563

SCHEMBL714563

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.43
EGLN1 Q9GZT9 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
DCUN1D1 Q96GG9 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGAV P06756 3/20 0.36
ITGB5 P18084 3/20 0.36
ITGB6 P18564 3/20 0.36
ITGB3 P05106 2/20 0.36
ITGB8 P26012 2/20 0.36
FABP4 P15090 2/20 0.36
TP53 P04637 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
EGLN3 Q9H6Z9 2/20 0.35
LMNA P02545 2/20 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
SCHEMBL688323 0.94 EGLN1 (0.43) CTSAEGLN1MEN1KMT2ADCUN1D1
SCHEMBL688522 0.92 EGLN1 (0.47) CTSAEGLN1MEN1KMT2AMAPT
SCHEMBL688610 0.91 MEN1 (0.44) CTSAEGLN1MEN1KMT2AMAPT
SCHEMBL687013 0.90 MEN1 (0.43) CTSAEGLN1MEN1KMT2AHPGD
SCHEMBL688189 0.90 MEN1 (0.43) CTSAEGLN1MEN1KMT2AMAPT
SCHEMBL686922 0.90 MEN1 (0.39) CTSAEGLN1MEN1KMT2AMAPT
SCHEMBL688444 0.90 MEN1 (0.43) CTSAEGLN1MEN1KMT2AMAPT
SCHEMBL687460 0.90 MEN1 (0.40) EGLN1MEN1KMT2AMAPTHPGD
SCHEMBL688658 0.90 MEN1 (0.43) CTSAEGLN1MEN1KMT2AMAPT
SCHEMBL3934601 0.89 MEN1 (0.43) CTSAEGLN1MEN1KMT2AMAPT

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