SCHEMBL7856497

SCHEMBL7856497

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
BCHE P06276 14/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ITGAV P06756 1/20 0.43
PPARG P37231 1/20 0.42

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 0.92 MAPT (0.52) MAPTBCHELMNASMN1; SMN2KCNK3
SCHEMBL7377637 0.88 MAPT (0.55) MAPTBCHELMNASMN1; SMN2ITGB3
SCHEMBL8500073 0.88 MAPT (0.49) MAPTBCHELMNASMN1; SMN2ITGB3
SCHEMBL7863258 0.87 PPARG (0.45) MAPTBCHEITGB3ITGA2BITGAV
SCHEMBL7861952 0.84 PPARG (0.53) MAPTBCHELMNASMN1; SMN2KCNK3
SCHEMBL7380109 0.81 LMNA (0.43) BCHELMNASMN1; SMN2KCNK3KCNK9
SCHEMBL7450519 0.81 PPARG (0.65) LMNAITGB3ITGA2BHDAC6ITGAV
SCHEMBL7856521 0.80 PPARG (0.60) MAPTBCHELMNASMN1; SMN2ITGB3
SCHEMBL8500043 0.79 MAPT (0.57) MAPTBCHELMNASMN1; SMN2HDAC6
SCHEMBL7863172 0.79 MAPT (0.51) MAPTBCHELMNASMN1; SMN2HDAC6

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