SCHEMBL686856

SCHEMBL686856

O=C(O)C[C@H](NC(=O)Nc1c(O)ccn(Cc2ccccc2Cl)c1=O)c1cccc(OC2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGER3 P43115 4/20 0.39
MAPT P10636 1/20 0.38
CNR2 P34972 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
FFAR1 O14842 1/20 0.37
DUT P33316 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL688317 0.88 CNR2 (0.43) KDM4EALDH1A1MAPK1NPSR1KMT2A
SCHEMBL687117 0.88 PTGER3 (0.52) KDM4EALDH1A1KMT2AMEN1PTGER3
SCHEMBL687597 0.87 PTGER3 (0.46) KDM4EALDH1A1MAPK1KMT2APTGER3
SCHEMBL688178 0.87 PTGER3 (0.42) KDM4EALDH1A1MAPK1PTGER3MAPT
SCHEMBL687654 0.86 PTGER3 (0.43) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL687152 0.86 PTGER3 (0.48) KDM4EALDH1A1MAPK1KMT2AMEN1
SCHEMBL687418 0.85 PTGER3 (0.46) KDM4EALDH1A1MAPK1NPSR1PTGER3
SCHEMBL687121 0.85 MAPT (0.46) KDM4EALDH1A1MAPK1PTGER3MAPT
SCHEMBL687251 0.85 PTGER3 (0.42) ALDH1A1RXFP1PTGER3MAPTSMN1; SMN2
SCHEMBL687732 0.84 PTGER3 (0.49) KDM4EALDH1A1MAPK1PTGER3MAPT

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