SCHEMBL686509

SCHEMBL686509

Cc1ccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)c(C)n(Cc3ccccc3Cl)c2=O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
PTGER3 P43115 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP26A1 O43174 1/20 0.38
PPARG P37231 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGES O14684 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TNF P01375 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL687213 0.91 MAPT (0.43) MAPTTP53RXFP1PTGER3SMN1; SMN2
SCHEMBL686808 0.91 CTSA (0.42) MAPTTP53RXFP1PTGER3L3MBTL1
SCHEMBL687096 0.90 MEN1 (0.43) MAPTTP53RXFP1L3MBTL1SMN1; SMN2
SCHEMBL688254 0.87 SMN1; SMN2 (0.44) MAPTTP53RXFP1PTGER3SMN1; SMN2
SCHEMBL688409 0.86 PPARG (0.42) MAPTTP53RXFP1PTGER3L3MBTL1
SCHEMBL688345 0.86 MEN1 (0.41) MAPTTP53RXFP1PTGER3L3MBTL1
SCHEMBL688170 0.86 PTGER3 (0.41) MAPTTP53RXFP1PTGER3SMN1; SMN2
SCHEMBL687155 0.82 PTGER3 (0.44) PTGER3SMN1; SMN2ALDH1A1CYP26A1KDM4E
SCHEMBL687879 0.82 CTSA (0.41) MAPTTP53RXFP1PTGER3SMN1; SMN2
SCHEMBL688519 0.82 PTGER3 (0.46) PTGER3SMN1; SMN2ALDH1A1CYP26A1KDM4E

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