SCHEMBL11580408

SCHEMBL11580408

O=C(O)CCC1CC=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HTT P42858 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
FOLH1 Q04609 1/20 0.32
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
KDM5A P29375 1/20 0.30
KDM7A Q6ZMT4 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL25660621 0.91 LMNA (0.38) LMNAALKBH5SUCNR1EGLN1HTT
SCHEMBL22288206 0.77 LMNA (0.43) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL9183918 0.77 KDM4E (0.41) LMNAHTTTSHRPMP22
SCHEMBL4558668 0.74 TSHR (0.50) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL23495089 0.72 LMNA (0.44) LMNAALKBH5SUCNR1EGLN1SLC22A6
SCHEMBL672141 0.72 KDM5A (0.47) LMNAALKBH5SUCNR1EGLN1SLC22A6
SCHEMBL301024 0.72
SCHEMBL8920891 0.72 KDM5A (0.47) LMNAALKBH5SUCNR1EGLN1SLC22A6
SCHEMBL9550372 0.71 LMNA (0.38) LMNAALKBH5SUCNR1EGLN1HTT
Bromide SCHEMBL15821114 0.70 KDM5A (0.46) LMNAALKBH5SUCNR1EGLN1SLC22A6

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-4098881-A COMPOSITIONS TO CONTROL THE CHRONIC EFFECTS OF EXPOSURE TO SUNLIGHT COMPRISING CONJUGATED DIENES THE PROCTER & GAMBLE COMPANY (US) 1978-07-04 US disclosed