SCHEMBL8580922

SCHEMBL8580922

CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2cccc(Oc3ncccc3[N+](=O)[O-])c2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 7/20 0.43
GHSR Q92847 2/20 0.38
MAPT P10636 5/20 0.35
GFER P55789 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 3/20 0.33
LTA4H P09960 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
P2RY1 P47900 1/20 0.31

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
SCHEMBL8580646 0.89 GHSR (0.42) MEN1KMT2AALDH1A1GHSRMAPT
SCHEMBL8614342 0.86 GHSR (0.40) GHSRKDM4EP2RY1
SCHEMBL8997778 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1GHSRNPC1
SCHEMBL8579256 0.77 GHSR (0.44) GHSR
SCHEMBL8845144 0.77 GHSR (0.39) GHSRRAB9AL3MBTL1POLBP2RY1
SCHEMBL8583595 0.75 GHSR (0.44) GHSRLMNASMN1; SMN2
SCHEMBL1162409 0.74 GHSR (0.48) GHSR
SCHEMBL8581652 0.74 GHSR (0.48) GHSR
SCHEMBL1162415 0.74 GHSR (0.48) GHSR
SCHEMBL8845255 0.74 CTSV (0.38) MEN1KMT2AALDH1A1GHSRMAPT

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
US-5837807-A DIPEPTIDES AND CYCLIC PEPTIDE DERIVATIVES OF AMINO TETRAHYDRONAPHTHALENECARBOXYLIC ACID AND HELICAL DOMAINS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed