SCHEMBL687013

SCHEMBL687013

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSA P10619 2/20 0.41
ITGB3 P05106 11/20 0.39
ITGAV P06756 10/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
PTGER3 P43115 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
ITGA2B P08514 1/20 0.36
EGLN1 Q9GZT9 1/20 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
SCHEMBL687667 0.94 ALDH1A1 (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688610 0.93 MEN1 (0.44) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688189 0.92 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688444 0.92 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688658 0.92 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688572 0.92 MEN1 (0.47) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL3934601 0.91 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687592 0.91 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL714563 0.90 CTSA (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687341 0.90 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1SMN1; SMN2

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