SCHEMBL2444537

SCHEMBL2444537

Cc1ccccc1CC1(CC(C)C=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MCHR1 Q99705 1/20 0.36
POLB P06746 6/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPBWR1 P48145 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL2440416 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EMCHR1POLBMEN1
SCHEMBL7933543 0.73 TSHR (0.42) ALDH1A1KDM4EKMT2ATAAR1
SCHEMBL27851009 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMCHR1POLBMEN1
SCHEMBL2441425 0.70 ALDH1A1 (0.45) ALDH1A1KDM4EMCHR1POLBMEN1
Formic Acid SCHEMBL5135725 0.67 MAOA (0.43) ALDH1A1KDM4EMCHR1POLBMEN1
SCHEMBL5085566 0.67 CHRM2 (0.38) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL2444534 0.67 POLB (0.44) ALDH1A1KDM4EMCHR1POLBMEN1
SCHEMBL31118109 0.66 TAAR1 (0.46) ALDH1A1KDM4EMCHR1POLBMEN1
SCHEMBL2439643 0.66 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ATAAR1
SCHEMBL1824872 0.64 MAOA (0.52) ALDH1A1KDM4EPOLBMEN1KMT2A

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-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed