SCHEMBL687879

SCHEMBL687879

CCc1c(O)c(NC(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)c(=O)n(Cc2ccccc2Cl)c1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.41
PTGER3 P43115 5/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.35
TNF P01375 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 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
SCHEMBL686808 0.91 CTSA (0.42) CTSAPTGER3MAPTALDH1A1SMN1; SMN2
SCHEMBL686624 0.86 MEN1 (0.42) CTSAMAPTALDH1A1TP53RXFP1
SCHEMBL688193 0.86 CTSA (0.39) CTSAMAPTSMN1; SMN2RXFP1
SCHEMBL686663 0.85 PTGER3 (0.44) CTSAPTGER3MAPT
SCHEMBL687120 0.85 MEN1 (0.42) CTSAPTGER3MAPTALDH1A1SMN1; SMN2
SCHEMBL687331 0.85 MEN1 (0.41) CTSAPTGER3MAPTALDH1A1SMN1; SMN2
SCHEMBL688313 0.85 MEN1 (0.42) CTSAPTGER3MAPTALDH1A1SMN1; SMN2
SCHEMBL687079 0.84 PTGER3 (0.43) CTSAPTGER3MAPTALDH1A1SMN1; SMN2
SCHEMBL686806 0.83 PTGER3 (0.45) CTSAPTGER3MAPT
SCHEMBL688029 0.83 CTSA (0.42) CTSAPTGER3MAPTALDH1A1SMN1; 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