SCHEMBL14532115

SCHEMBL14532115

CCC(=O)c1cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
PTGS1 P23219 4/20 0.43
ALOX5 P09917 3/20 0.43
PTGS2 P35354 3/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CYP3A4 P08684 1/20 0.37
DRD3 P35462 1/20 0.37
F2R P25116 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AB1 P08238 2/20 0.35
HSP90AA1 P07900 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2481961 0.86 LMNA (0.42) LMNARECQLPTGS1ALOX5PTGS2
SCHEMBL2481927 0.86 LMNA (0.42) LMNARECQLPTGS1ALOX5PTGS2
SCHEMBL1928189 0.85 LMNA (0.61) LMNARECQLPTGS1ALOX5PTGS2
SCHEMBL9446389 0.83 LMNA (0.46) LMNARECQLPTGS1ALOX5PTGS2
Zinc Ion SCHEMBL11802904 0.80 LMNA (0.44) LMNARECQLPTGS1ALOX5PTGS2
SCHEMBL11862580 0.80 LMNA (0.44) LMNARECQLPTGS1ALOX5PTGS2
SCHEMBL8335067 0.79 KDM4E (0.52) LMNARECQLPTGS1ALOX5PTGS2
SCHEMBL7792941 0.79 LMNA (0.54) LMNARECQLPTGS1ALOX5PTGS2
SCHEMBL45856 0.77 LMNA (0.53) LMNARECQLPTGS1ALOX5PTGS2
SCHEMBL9188294 0.76 CA2 (0.41) LMNARECQLKMT2AMEN1CYP3A4

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-2007054446-A1 PHOTOLATENT SYSTEMS CIBA HOLDING INC. (CH) 2007-05-18 WO disclosed