SCHEMBL686816

SCHEMBL686816

CCOc1cc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4ccccc4Cl)c2=O)CCC3)cc(Cl)c1OCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 4/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PPARG P37231 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PTGER3 P43115 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
SCHEMBL687890 0.92 KMT2A (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL686857 0.92 SMN1; SMN2 (0.41) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687765 0.89 KMT2A (0.37) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL686968 0.89 MEN1 (0.38) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688605 0.88 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688270 0.87 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687753 0.87 MEN1 (0.38) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687940 0.86 MEN1 (0.42) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688336 0.86 HPGD (0.38) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688444 0.86 MEN1 (0.43) 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