SCHEMBL18856348

SCHEMBL18856348

CCC(C)C(C)OC(=O)C(C)(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 2/20 0.43
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
KCNH2 Q12809 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KCNN4 O15554 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ELANE P08246 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18856285 0.84 NPSR1 (0.47) MAPTCYP1A2CYP2D6KMT2ACHRM2
SCHEMBL17011233 0.83 MAPT (0.48) MAPTCYP1A2CYP2D6KMT2ACHRM2
SCHEMBL6894286 0.83 MAPT (0.48) MAPTCYP1A2CYP2D6KMT2ACHRM2
SCHEMBL18388288 0.81 MAPT (0.43) MAPTCYP1A2CYP2D6KMT2ACHRM2
SCHEMBL6898376 0.80 MAPT (0.52) MAPTCYP1A2CYP2D6KMT2ACHRM2
SCHEMBL28044958 0.78 MAPT (0.50) MAPTCYP1A2CYP2D6KMT2ACHRM2
Hydrochloric Acid SCHEMBL28209912 0.78 KMT2A (0.50) MAPTCYP1A2CYP2D6KMT2ACHRM2
SCHEMBL18388298 0.77 PIN1 (0.43) MAPTKMT2ACHRM2CHRM1CHRM3
SCHEMBL12120740 0.77 LMNA (0.45) MAPTKMT2ACHRM2CHRM1CHRM3
SCHEMBL19359885 0.77 LMNA (0.45) MAPTKMT2ACHRM2CHRM1CHRM3

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-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed