SCHEMBL687817

SCHEMBL687817

Cc1cccc(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3ccc(C4CC4)cc3)c1=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
DGAT1 O75907 1/20 0.35
HPGD P15428 2/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 2/20 0.32
HMGCR P04035 2/20 0.32
MAPK1 P28482 1/20 0.32
CCR1 P32246 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
CTSA P10619 2/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
P2RX7 Q99572 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL687910 0.92 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688106 0.92 KMT2A (0.41) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687363 0.90 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687315 0.89 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688337 0.88 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688537 0.88 KEAP1 (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL686847 0.87 CTSA (0.40) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL686898 0.87 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687911 0.86 KMT2A (0.36) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688415 0.85 SMN1; SMN2 (0.37) MEN1KMT2AHPGDALDH1A1SMN1; 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