SCHEMBL686898

SCHEMBL686898

Cc1cccc(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3cc(F)cc(F)c3)c1=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 6/20 0.36
ITGAV P06756 6/20 0.36
HSD17B10 Q99714 1/20 0.34
CTSA P10619 3/20 0.33
EGLN1 Q9GZT9 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
PYGL P06737 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL688106 0.92 KMT2A (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL686847 0.90 CTSA (0.40) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687910 0.90 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688537 0.89 KEAP1 (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687363 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687667 0.89 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688395 0.88 MEN1 (0.37) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL688525 0.88 ITGB3 (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687844 0.88 MEN1 (0.37) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL687271 0.88 KMT2A (0.39) MEN1KMT2AALDH1A1HPGDSMN1; 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