SCHEMBL8979852

SCHEMBL8979852

CCCCC(=O)CC(=O)COCc1ccc(C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP4A11 Q02928 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CYP4F2 P78329 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CASP1 P29466 1/20 0.43

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
SCHEMBL8979745 0.83 NPC1 (0.47) PLA2G4BNPC1MEN1KMT2AKDM4E
SCHEMBL5649108 0.80 LOXL2 (0.53) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9262378 0.80 NPC1 (0.56) PLA2G4BNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10865547 0.77 MGLL (0.51) PLA2G4BNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14660779 0.77 MGLL (0.51) PLA2G4BNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6665979 0.77 LOXL2 (0.66) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7218133 0.76 LOXL2 (0.56) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2412752 0.76 LOXL2 (0.59) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9200368 0.76 CYP4A11 (0.46) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL15869138 0.75 NPC1 (0.50) PLA2G4BNPC1MAPTMEN1KMT2A

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
US-5565464-A Compounds having angiotensine II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-10-15 US disclosed
WO-1993003018-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1993-02-18 WO disclosed