SCHEMBL2909228

SCHEMBL2909228

CCC(OC1CC2CCC1(C)C2(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 1/20 0.43

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
SCHEMBL6760298 0.87 LMNA (0.43) LMNAALDH1A1KMT2AMAPTMAPK1
SCHEMBL824244 0.76 EPHX2 (0.44) LMNAALDH1A1KMT2AHTTKDM4E
SCHEMBL24832363 0.75 ALDH1A1 (0.41) LMNAALDH1A1KMT2AMAPTMAPK1
SCHEMBL1719896 0.75 ALDH1A1 (0.44) LMNAALDH1A1KMT2AMAPTMAPK1
SCHEMBL786210 0.74 ALDH1A1 (0.52) LMNAALDH1A1KMT2AMAPTMAPK1
SCHEMBL28326662 0.74 ALDH1A1 (0.52) LMNAALDH1A1KMT2AMAPTMAPK1
SCHEMBL28259609 0.74 ALDH1A1 (0.52) LMNAALDH1A1KMT2AMAPTMAPK1
Acetic Acid SCHEMBL28210853 0.74 ALDH1A1 (0.49) LMNAALDH1A1KMT2AMAPTMAPK1
SCHEMBL10684521 0.74 ALDH1A1 (0.42) LMNAALDH1A1KMT2AMAPTMAPK1
SCHEMBL5132418 0.73 MAPT (0.58) LMNAALDH1A1KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167024-A2 COOLING COMPOUNDS Givaudan SA (CH) 2010-03-31 EP claimed
WO-2008151460-A2 COOLING COMPOUNDS GIVAUDAN SA (CH) 2008-12-18 WO claimed