SCHEMBL9490145

SCHEMBL9490145

CCCC(C(N)=O)C(=O)OC(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
FAAH O00519 1/20 0.36
LMNA P02545 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
AKR1A1 P14550 1/20 0.30

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
SCHEMBL28395655 0.88 FAAH (0.40) MAPTCA1CA2FAAHLMNA
SCHEMBL335124 0.85 CHRM1 (0.41) MAPTCA1CA2FAAHCHRM1
SCHEMBL28889016 0.78 MAPT (0.42) MAPTCA1CA2FAAHLMNA
SCHEMBL7223715 0.76 CHRM1 (0.44) MAPTCA1CA2FAAHCHRM1
SCHEMBL4739524 0.76 FAAH (0.40) MAPTCA1CA2FAAHCHRM1
SCHEMBL27563269 0.76 ZDHHC7 (0.46) CA1CA2LMNACHRM1CHRM3
SCHEMBL2988148 0.76 FAAH (0.40) MAPTCA1CA2FAAHCHRM1
SCHEMBL9269283 0.76 ALOX15 (0.46) CA1CA2LMNACHRM1CHRM3
SCHEMBL2990052 0.76 FAAH (0.40) MAPTCA1CA2FAAHCHRM1
SCHEMBL7624643 0.75 CHRM1 (0.52) MAPTCA1CA2CHRM1CHRM3

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-5252574-A Hypotensive agents, vision disorder MERCK & CO., INC. (US) 1993-10-12 US disclosed