SCHEMBL9706627

SCHEMBL9706627

CC(C)(C)C1CC=C(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CES2 O00748 3/20 0.43
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
CHRNA7 P36544 1/20 0.35
STAT3 P40763 1/20 0.35
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL12519550 0.78 LMNA (0.38) LMNACES2
SCHEMBL781856 0.77 CES2 (0.37) LMNACES2CYP3A4ALOX15MEN1
SCHEMBL18676186 0.76 ESR2 (0.39) LMNACES2CYP3A4ALDH1A1
SCHEMBL31545085 0.76 LMNA (0.70) LMNACES2CYP3A4ALOX15MEN1
SCHEMBL18072401 0.74 CES2 (0.35) LMNACES2
SCHEMBL6435607 0.74 LMNA (0.42) LMNACES2CYP3A4ALOX15MEN1
SCHEMBL13782375 0.74 LMNA (0.42) LMNACES2CYP3A4ALOX15MEN1
SCHEMBL5698477 0.74 LMNA (0.42) LMNACES2CYP3A4ALOX15MEN1
SCHEMBL4402841 0.74 LMNA (0.42) LMNACES2CYP3A4ALOX15MEN1
SCHEMBL4440899 0.74 LMNA (0.42) LMNACES2CYP3A4ALOX15MEN1

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-1992012983-A1 A METHOD OF FLUORINATING BY USING N-FLUOROPYRIDINIUM PYRIDINE HEPTAFLUORODIBORATE ALLIED-SIGNAL INC. (US) 1992-08-06 WO disclosed