SCHEMBL8601980

SCHEMBL8601980

CC(C)N1CC(C)(c2cccc(OCC3CC3)c2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.42
ADAM17 P78536 1/20 0.40
HTR2C P28335 1/20 0.39
ACACB O00763 3/20 0.39
ACACA Q13085 2/20 0.39
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
DUT P33316 3/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
GRM2 Q14416 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8484115 0.81 PDE4B (0.46)
SCHEMBL8486551 0.66 PDE4B (0.47)
SCHEMBL20188810 0.65 TLR4 (0.47) BACE1ADAM17TLR4TLR2
SCHEMBL20201820 0.65 ADAM17 (0.45) BACE1ADAM17ACACBACACATLR4
SCHEMBL13647241 0.65 ACACA (0.54) ACACBACACATLR4TLR2
SCHEMBL17148210 0.65 KDM4E (0.51) ACACBACACAGRM2
SCHEMBL12696893 0.63 TLR4 (0.45) TLR4TLR2
SCHEMBL13859319 0.63 BACE1 (0.44) BACE1ADAM17TLR4TLR2
SCHEMBL12094236 0.63 ACACA (0.49) ACACBACACADUT
SCHEMBL1409826 0.63 ACACA (0.49) ACACBACACADUT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783591-A Administration of oxazolidinone and pyrolidinone compounds for the treatment of inflammation SCHERING AKTIENGESELLSCHAFT (DE) 1998-07-21 US claimed
EP-0198919-A1 PHARMACEUTICAL PREPARATIONS. SCHERING AG (DE) 1986-10-29 EP claimed
WO-1986002268-A1 PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1986-04-24 WO claimed