SCHEMBL688522

SCHEMBL688522

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.47
CTSA P10619 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGLN2 Q96KS0 3/20 0.38
EGLN3 Q9H6Z9 3/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
FABP4 P15090 2/20 0.37
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
EEF2K O00418 1/20 0.35
MAPT P10636 2/20 0.35

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 0.93 EGLN1 (0.43) EGLN1CTSAMEN1KMT2AALDH1A1
SCHEMBL688444 0.92 MEN1 (0.43) EGLN1CTSAMEN1KMT2AALDH1A1
SCHEMBL714563 0.92 CTSA (0.43) EGLN1CTSAMEN1KMT2AALDH1A1
SCHEMBL688572 0.92 MEN1 (0.47) EGLN1CTSAMEN1KMT2AALDH1A1
SCHEMBL688349 0.91 MEN1 (0.41) EGLN1MEN1KMT2AALDH1A1HPGD
SCHEMBL687806 0.91 MEN1 (0.41) EGLN1CTSAMEN1KMT2AALDH1A1
SCHEMBL688268 0.90 MAPT (0.40) EGLN1MEN1KMT2AALDH1A1HPGD
SCHEMBL687331 0.90 MEN1 (0.41) CTSAMEN1KMT2AALDH1A1HPGD
SCHEMBL688052 0.89 MEN1 (0.44) EGLN1MEN1KMT2AALDH1A1HPGD
SCHEMBL687120 0.88 MEN1 (0.42) EGLN1CTSAMEN1KMT2AALDH1A1

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