SCHEMBL687969

SCHEMBL687969

CCOc1ccc(Cl)c(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3ccc(C)cc3)c1=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.36
P2RX3 P56373 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 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
SCHEMBL687480 0.92 CTSA (0.36) CTSAP2RX3LMNAHPGDHSD17B10
SCHEMBL686877 0.90 KMT2A (0.36) LMNAHPGDHSD17B10MEN1KMT2A
SCHEMBL688281 0.88 KMT2A (0.36) P2RX3LMNAHPGDHSD17B10MEN1
SCHEMBL686719 0.86 MEN1 (0.38) LMNAHPGDHSD17B10MEN1KMT2A
SCHEMBL688737 0.86 FFAR1 (0.36) CTSAMEN1KMT2AACACB
SCHEMBL687500 0.85 SMN1; SMN2 (0.37) LMNAHPGDHSD17B10MEN1KMT2A
SCHEMBL687910 0.85 MEN1 (0.39) CTSALMNAHPGDKEAP1NFE2L2
SCHEMBL687908 0.84 CTSA (0.38) CTSAHPGDKEAP1NFE2L2MEN1
SCHEMBL687992 0.83 KMT2A (0.44) CTSALMNAHPGDKEAP1NFE2L2
SCHEMBL686618 0.82 KMT2A (0.37) LMNAHPGDHSD17B10MEN1KMT2A

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