SCHEMBL687725

SCHEMBL687725

CCOc1ncc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4ccccc4Cl)c2=O)CCC3)c(OCC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
CTSA P10619 2/20 0.32
PTGER3 P43115 1/20 0.32
TNF P01375 1/20 0.32
NOD2 Q9HC29 1/20 0.32
NOD1 Q9Y239 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
SCHEMBL687753 0.85 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL687747 0.85 PTGER3 (0.36) ALDH1A1HTTKDM4EHPGDSMN1; SMN2
SCHEMBL688605 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL686968 0.84 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL688336 0.84 HPGD (0.38) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL687890 0.83 KMT2A (0.39) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL686857 0.83 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL688444 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL686816 0.82 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL688217 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAHTT

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