SCHEMBL1042579

SCHEMBL1042579

CCC(O)(c1ccccc1)C(CC(C)(C)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.45
KMT2A Q03164 14/20 0.45
NPC1 O15118 1/20 0.42
ATM Q13315 3/20 0.40
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL16685441 0.84 MEN1 (0.48) MEN1KMT2ANPC1ATMNPSR1
SCHEMBL13248622 0.75 SLC6A2 (0.40) MEN1KMT2ALMNASLC6A2SLC6A4
SCHEMBL3401038 0.75 LMNA (0.41) MEN1KMT2ANPC1LMNA
SCHEMBL8609442 0.75 LMNA (0.45) MEN1KMT2ANPC1LMNAPOLB
SCHEMBL12238644 0.72 CYP2C19 (0.44) MEN1KMT2A
SCHEMBL27976218 0.72 CYP2C19 (0.44) MEN1KMT2ALMNA
SCHEMBL29103156 0.72 MEN1 (0.47) MEN1KMT2ANPC1ATMPOLB
SCHEMBL28671153 0.70 CYP2C19 (0.36) MEN1KMT2ANPC1ATMLMNA
SCHEMBL6930326 0.69 MEN1 (0.49) MEN1KMT2ANPC1ATMLMNA
SCHEMBL6247835 0.69 LMNA (0.47) MEN1KMT2ANPC1ATMLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268599-B1 Derivatives of campholenic aldehyde GIVAUDAN SA (CH) 2011-09-21 EP disclosed
EP-2252674-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-09-07 EP disclosed
EP-2268599-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2011-01-05 EP disclosed