SCHEMBL20054736

SCHEMBL20054736

CC(C)(C)OC(=O)C1(C2CCOCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.38
CCR2 P41597 2/20 0.33
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL20054555 0.82 CYP3A4 (0.44) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL15897420 0.82 LMNA (0.33) RECQLLMNATSHRMAPK1
SCHEMBL20299282 0.81 CHRM2 (0.31) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL2318788 0.81 TSHR (0.32) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL15897448 0.78 MAPK1 (0.33) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL15114378 0.77 RIPK1 (0.33)
SCHEMBL6651445 0.76 TSHR (0.31) CHRM2CHRM1CHRM3CYP3A4ABCB11
SCHEMBL3465278 0.76 TSHR (0.42) RECQLCHRM2CHRM1CHRM3CYP3A4
SCHEMBL2320236 0.76 CYP4F2 (0.42) RECQL
SCHEMBL14699482 0.75

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-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed