SCHEMBL20165763

SCHEMBL20165763

C[C@@H]1C(=O)c2ccccc2C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
S100A4 P26447 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PGR P06401 1/20 0.36
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAOA P21397 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 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
SCHEMBL29364950 1.00 ACHE (0.38) ACHES100A4MEN1KMT2APOLB
SCHEMBL30754346 1.00 ACHE (0.38) ACHES100A4MEN1KMT2APOLB
SCHEMBL481124 1.00 ACHE (0.38) ACHES100A4MEN1KMT2APOLB
SCHEMBL17703888 0.80 ALDH1A1 (0.41) ACHES100A4MEN1KMT2APGR
SCHEMBL5327165 0.78 S100A4 (0.38) S100A4MEN1KMT2APOLBPGR
SCHEMBL11266220 0.75 ACHE (0.43) ACHEPOLBPGRPDK2MAPT
SCHEMBL3368766 0.75 MEN1 (0.35) S100A4MEN1KMT2APOLBPGR
SCHEMBL19303438 0.73 ACHE (0.34) ACHES100A4MEN1KMT2APOLB
SCHEMBL13880070 0.73 PDK2 (0.43) PDK2PDK4ALDH1A1MAPTHPGD
SCHEMBL14510715 0.71 ALDH1A1 (0.32) S100A4MEN1KMT2APOLBPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713610-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR Firmenich SA (CH) 2020-09-30 EP disclosed
EP-3541435-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR Firmenich SA (CH) 2019-09-25 EP disclosed
WO-2019101821-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2019-05-31 WO disclosed
WO-2018091686-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR FIRMENICH SA (CH) 2018-05-24 WO disclosed