SCHEMBL9422982

SCHEMBL9422982

CCOC(=O)c1noc(C)c1C(=O)Nc1ccc(Cl)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
ALDH1A1 P00352 4/20 0.61
MAPT P10636 7/20 0.53
TP53 P04637 2/20 0.53
PTGS2 P35354 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 5/20 0.48
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47
ACR P10323 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GHSR Q92847 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RY12 Q9H244 1/20 0.45

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
SCHEMBL9423063 0.88 HTT (0.67) HTTALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL9429043 0.87 HTT (0.65) HTTALDH1A1MAPTTP53LMNA
SCHEMBL9423254 0.85 HTT (0.63) HTTALDH1A1MAPTTP53PTGS2
SCHEMBL9422978 0.85 HTT (0.66) HTTALDH1A1MAPTTP53PTGS2
SCHEMBL8376637 0.84 LMNA (0.57) HTTALDH1A1PTGS2SMN1; SMN2TSHR
SCHEMBL9428918 0.83 HTT (0.67) HTTALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL9429860 0.81 HTT (0.64) HTTALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL9423028 0.80 HTT (0.62) HTTALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL9428786 0.80 HTT (0.65) HTTALDH1A1MAPTTP53PTGS2
SCHEMBL9423132 0.79 HTT (0.64) HTTALDH1A1MAPTTP53PTGS2

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-5371099-A Antiinflammatory agents ROUSSEL-UCLAF (FR) 1994-12-06 US disclosed