SCHEMBL13985486

SCHEMBL13985486

CC(C)(C)C1CC=C(C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CES2 O00748 2/20 0.38
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNA7 P36544 1/20 0.31
STAT3 P40763 1/20 0.31

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
SCHEMBL24783009 0.78 LMNA (0.40) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL20810121 0.77 CCR2 (0.30)
SCHEMBL5698477 0.77 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL13660349 0.77 CCR2 (0.30)
SCHEMBL12186297 0.74
SCHEMBL31545085 0.74 LMNA (0.70) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL20095927 0.73 SLC6A4 (0.38)
SCHEMBL9706627 0.72 LMNA (0.47) LMNACES2ALDH1A1MEN1CYP3A4
SCHEMBL13782375 0.72 LMNA (0.42) LMNACES2MEN1CYP3A4ALOX15
SCHEMBL6435607 0.72 LMNA (0.42) LMNACES2ALDH1A1MEN1CYP3A4

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
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed