SCHEMBL2369067

SCHEMBL2369067

CCC(C)[C@H](C=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CYP2D6 P10635 2/20 0.40
CHRM5 P08912 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TRPA1 O75762 5/20 0.38
TAAR1 Q96RJ0 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AOC3 Q16853 1/20 0.37
POLB P06746 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
SCHEMBL28143011 0.79 CYP2D6 (0.41) LMNACYP2D6MEN1KMT2ATRPA1
SCHEMBL3503957 0.79 CYP2D6 (0.41) LMNACYP2D6MEN1KMT2ATRPA1
SCHEMBL4432460 0.78 CYP2D6 (0.48) LMNACYP2D6KMT2ATAAR1
SCHEMBL12950125 0.77 CYP2D6 (0.39) LMNACYP2D6MEN1KMT2ATRPA1
SCHEMBL12950121 0.77 CYP2D6 (0.39) LMNACYP2D6MEN1KMT2ATRPA1
SCHEMBL28420846 0.75 TAAR1 (0.42) LMNACYP2D6MEN1KMT2ATRPA1
SCHEMBL14640471 0.75 ADRA2A (0.48) LMNACYP2D6TAAR1
SCHEMBL28423174 0.75 LMNA (0.43) LMNACHRM2CYP2D6MEN1KMT2A
SCHEMBL11637537 0.75 TSHR (0.42) LMNACYP2D6MEN1KMT2ATRPA1
SCHEMBL3277099 0.74 LMNA (0.46) LMNACYP2D6MEN1KMT2ATRPA1

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-2364186-A2 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES Henkel AG & Co. KGaA (DE) 2011-09-14 EP disclosed
WO-2010066486-A2 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES HENKEL AG & CO. KGAA (DE) 2010-06-17 WO disclosed
US-20020016269-A1 Particle perfume delivery system THE PROCTER & GAMBLE CO. 2002-02-07 US disclosed