SCHEMBL7996739

SCHEMBL7996739

CCC=Cc1c(OCC(=O)OC)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 8/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.45
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
ITGA4 P13612 1/20 0.42
HPGD P15428 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
GAA P10253 2/20 0.41

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
SCHEMBL7999911 0.85 ALDH1A1 (0.49) POLBRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL7995971 0.82 ALDH1A1 (0.54) POLBRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL7995969 0.82 ALDH1A1 (0.54) POLBRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL12309435 0.79 ALDH1A1 (0.68) POLBRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL30597073 0.79 ALDH1A1 (0.68) POLBRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL1706850 0.78 ALDH1A1 (0.52) POLBRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL1137355 0.75 PTGS2 (0.49) POLBRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL10752474 0.73 ALDH1A1 (0.42) POLBRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL27168526 0.71 HSP90AA1 (0.47) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL30596982 0.70 KMT2A (0.47) POLBRAB9ASMN1; SMN2ALDH1A1HTT

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
WO-2001044185-A1 CARBON MONOXIDE-BASED SYNTHESIS OF SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed