SCHEMBL9704720

SCHEMBL9704720

CCOc1cc(C)c(C=O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ERN1 O75460 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13210103 0.84 GAA (0.44) LMNAALDH1A1KDM4EGAATDP1
SCHEMBL4971064 0.84 ALDH1A1 (0.50) LMNAALDH1A1KDM4EPOLBTDP1
SCHEMBL14036616 0.82 LMNA (0.47) LMNAALDH1A1KDM4EGAAPOLB
SCHEMBL18319116 0.81 LMNA (0.54) LMNAALDH1A1KDM4EGAAPOLB
SCHEMBL13324326 0.81 KDM4E (0.49) LMNAALDH1A1KDM4EGAAPOLB
SCHEMBL31634966 0.80 LMNA (0.67) LMNAALDH1A1KDM4EGAAPOLB
SCHEMBL22945621 0.80 LMNA (0.67) LMNAALDH1A1KDM4EGAAPOLB
SCHEMBL670086 0.80 LMNA (0.77) LMNAALDH1A1KDM4EGAAPOLB
SCHEMBL18319253 0.79 LMNA (0.51) LMNAALDH1A1KDM4EGAAPOLB
SCHEMBL17967819 0.79 PTGDR2 (0.54) ALDH1A1KDM4EPOLBSMN1; SMN2MAPT

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-5166398-A Anticholesterol agents or atherosclerosis WARNER-LAMBERT CO. (US) 1992-11-24 US disclosed