SCHEMBL10405477

SCHEMBL10405477

C=CCOc1ccc2c(c1)C(CCCC)C(CC)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
TSHR P16473 2/20 0.33
MAOB P27338 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32

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
SCHEMBL10405674 0.90 MEN1 (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL10405675 0.90 MEN1 (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL10405373 0.87 MTNR1A (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL9868008 0.85 MAPT (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL9868005 0.85 MAPT (0.39) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL10405357 0.79 CA12 (0.38) MEN1LMNAKMT2ACA12CA1
SCHEMBL10401465 0.74 CA12 (0.36) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL10401481 0.73 MAPT (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL10401577 0.72 MAPT (0.36) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL10401766 0.70 PPARD (0.33) MEN1LMNAMAPTKMT2ASMN1; SMN2

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-4975457-A Antiinflammatory agent; enzyme inhibitor MERCK & CO., INC. (US) 1990-12-04 US disclosed