SCHEMBL688359

SCHEMBL688359

CCOc1cccc(Cl)c1Cn1c2c(c(O)c(NC(=O)N[C@@H](CC(=O)O)c3cccc(OC4CCCC4)c3)c1=O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 2/20 0.34
FFAR1 O14842 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
ACACB O00763 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL686619 0.99 KMT2A (0.35) KMT2ASMN1; SMN2MEN1FFAR1ALDH1A1
SCHEMBL686618 0.93 KMT2A (0.37) KMT2ASMN1; SMN2MEN1FFAR1ALDH1A1
SCHEMBL686894 0.91 FFAR1 (0.38) KMT2ASMN1; SMN2MEN1FFAR1ACACB
SCHEMBL688414 0.91 KMT2A (0.37) KMT2ASMN1; SMN2MEN1FFAR1ALDH1A1
SCHEMBL687911 0.91 KMT2A (0.36) KMT2ASMN1; SMN2MEN1FFAR1ALDH1A1
SCHEMBL686692 0.90 SMN1; SMN2 (0.36) KMT2ASMN1; SMN2MEN1FFAR1ALDH1A1
SCHEMBL688415 0.90 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2MEN1FFAR1ALDH1A1
SCHEMBL687167 0.90 KMT2A (0.37) KMT2ASMN1; SMN2MEN1FFAR1ALDH1A1
SCHEMBL686719 0.90 MEN1 (0.38) KMT2ASMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL688603 0.88 KMT2A (0.36) KMT2ASMN1; SMN2MEN1FFAR1ALDH1A1

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