SCHEMBL3365875

SCHEMBL3365875

O=C(O)C[C@@H](O)CCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.46
HMGCR P04035 2/20 0.44
METAP1 P53582 1/20 0.42
GPR84 Q9NQS5 4/20 0.41
GABRR1 P24046 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL4795608 0.98 SLC22A6 (0.44) SLC22A6HMGCRMETAP1GPR84GABRR1
SCHEMBL6565930 0.78 MAPT (0.42) METAP1ALDH1A1MAPTKDM5AKDM4C
SCHEMBL6517422 0.78 METAP1 (0.49) METAP1ALDH1A1KDM5AKDM4CPHF8
SCHEMBL7429602 0.78 METAP1 (0.50) METAP1
SCHEMBL1365294 0.78 ALDH1A1 (0.48) SLC22A6METAP1GABRR1LMNAALDH1A1
SCHEMBL26138089 0.78 SLC22A6 (0.75) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL1162229 0.77 METAP1 (0.51) METAP1LMNAALDH1A1KDM5AKDM4C
SCHEMBL18939426 0.77 METAP1 (0.51) METAP1LMNAALDH1A1KDM5AKDM4C
SCHEMBL27534064 0.77 FOLH1 (0.48) METAP1LMNAALDH1A1KDM5AKDM4C
SCHEMBL10338247 0.77 HMGCR (0.45) SLC22A6HMGCRGPR84GABRR1LMNA

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-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 EP claimed