SCHEMBL688605

SCHEMBL688605

CCOc1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c3c(n(Cc4ccccc4Cl)c2=O)CCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER3 P43115 4/20 0.36
ALDH1A1 P00352 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
FFAR1 O14842 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL687750 0.94 MEN1 (0.40) MEN1KMT2AHPGDLMNAHSD17B10
SCHEMBL688336 0.94 HPGD (0.38) MEN1KMT2AHPGDLMNAHSD17B10
SCHEMBL688380 0.94 MEN1 (0.39) MEN1KMT2AHPGDLMNAHSD17B10
SCHEMBL688451 0.92 MEN1 (0.40) MEN1KMT2AHPGDLMNAPTGER3
SCHEMBL687676 0.92 KMT2A (0.43) MEN1KMT2AHPGDLMNAPTGER3
SCHEMBL686922 0.91 MEN1 (0.39) MEN1KMT2AHPGDLMNAPTGER3
SCHEMBL688324 0.91 MEN1 (0.39) MEN1KMT2AHPGDPTGER3ALDH1A1
SCHEMBL687858 0.91 MEN1 (0.37) MEN1KMT2AHPGDLMNAHSD17B10
SCHEMBL688426 0.91 KMT2A (0.40) MEN1KMT2AHPGDLMNAPTGER3
SCHEMBL686857 0.91 SMN1; SMN2 (0.41) MEN1KMT2AHPGDLMNAHSD17B10

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