SCHEMBL7861952

SCHEMBL7861952

CCc1c(CCC(=O)O)cccc1CNC(=O)c1cccc(NC(=O)NCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.50
BCHE P06276 5/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SENP1 Q9P0U3 2/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
KDR P35968 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL7864782 0.86 MAPT (0.52) PPARGLMNAMAPTSMN1; SMN2BCHE
SCHEMBL7856497 0.84 MAPT (0.50) PPARGLMNAMAPTSMN1; SMN2BCHE
SCHEMBL7856448 0.83 PPARG (0.68) PPARGLMNAMAPTSMN1; SMN2MAPK1
SCHEMBL7372561 0.83 KCNK3 (0.56) PPARGLMNAMAPTSMN1; SMN2MAPK1
SCHEMBL8500095 0.79 PPARG (0.59) PPARGLMNAMAPTMAPK1ALDH1A1
SCHEMBL7382386 0.78 PPARG (0.63) PPARGLMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL7340336 0.77 KDR (0.52) PPARGLMNAMAPTSMN1; SMN2MAPK1
SCHEMBL7350844 0.77 MAPT (0.53) PPARGLMNAMAPTSMN1; SMN2MAPK1
SCHEMBL7863258 0.77 PPARG (0.45) PPARGMAPTBCHEALDH1A1HPGD
SCHEMBL7803055 0.76 KDR (0.58) LMNAMAPTSMN1; SMN2MAPK1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed