SCHEMBL688336

SCHEMBL688336

CCOc1ccc2cc([C@H](CC(=O)O)NC(=O)Nc3c(O)c4c(n(Cc5ccccc5Cl)c3=O)CCC4)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RXFP1 Q9HBX9 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGER3 P43115 2/20 0.35
ALOX5AP P20292 1/20 0.34
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL688605 0.94 MEN1 (0.41) HPGDHSD17B10LMNAMEN1KMT2A
SCHEMBL688265 0.93 PTGER3 (0.42) HPGDHSD17B10MEN1KMT2ARXFP1
SCHEMBL686857 0.90 SMN1; SMN2 (0.41) HPGDHSD17B10LMNAMEN1KMT2A
SCHEMBL687890 0.90 KMT2A (0.39) HPGDHSD17B10LMNAMEN1KMT2A
SCHEMBL688380 0.89 MEN1 (0.39) HPGDHSD17B10LMNAMEN1KMT2A
SCHEMBL687750 0.88 MEN1 (0.40) HPGDHSD17B10LMNAMEN1KMT2A
SCHEMBL687765 0.88 KMT2A (0.37) HPGDHSD17B10LMNAMEN1KMT2A
SCHEMBL688345 0.87 MEN1 (0.41) HPGDLMNAMEN1KMT2ARXFP1
SCHEMBL688052 0.86 MEN1 (0.44) HPGDLMNAMEN1KMT2ARXFP1
SCHEMBL686816 0.86 MEN1 (0.38) HPGDHSD17B10LMNAMEN1KMT2A

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