SCHEMBL1698192

SCHEMBL1698192

CC(C)=CCC1(CCCCCO)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 3/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1698013 0.92 SQLE (0.34) SQLE
SCHEMBL2439262 0.85 SQLE (0.32) SQLE
SCHEMBL1698133 0.84 ALDH1A1 (0.30) SQLEALDH1A1
SCHEMBL2441751 0.82 GAA (0.32)
SCHEMBL1698101 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27851024 0.78 TSHR (0.33) TSHR
SCHEMBL1697976 0.76
SCHEMBL2446793 0.76 PAOX (0.33) ALDH1A1
SCHEMBL1698136 0.76
SCHEMBL27832659 0.76 TSHR (0.32) TSHR

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-2585569-A1 PERFUME SYSTEMS The Procter and Gamble Company (US) 2013-05-01 EP claimed
WO-2011163337-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2011-12-29 WO claimed