SCHEMBL13765633

SCHEMBL13765633

CC(C)(Cc1ccccc1)C(O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.61
AOC3 Q16853 1/20 0.47
SLC6A2 P23975 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
RIPK1 Q13546 1/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 2/20 0.41
OPRK1 P41145 2/20 0.41
BCHE P06276 1/20 0.40
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL9500201 0.84 SMN1; SMN2 (0.51) TRPA1SLC6A2LMNACYP2D6CYP1A2
SCHEMBL22614877 0.83 TRPA1 (0.70) TRPA1SLC6A2TAAR1RIPK1LMNA
SCHEMBL1823949 0.79 TRPA1 (0.55) TRPA1SLC6A2TAAR1RIPK1LMNA
SCHEMBL11407130 0.79 AOC3 (0.50) TRPA1AOC3SLC6A2RIPK1LMNA
SCHEMBL114928 0.79 TRPA1 (0.71) TRPA1SLC6A2TAAR1LMNACYP2D6
SCHEMBL703634 0.79 AOC3 (0.50) TRPA1AOC3SLC6A2RIPK1LMNA
SCHEMBL23259510 0.78 CYP3A4 (0.42) TRPA1AOC3SLC6A2RIPK1CYP2D6
SCHEMBL18954159 0.77 TRPA1 (0.53) TRPA1SLC6A2TAAR1RIPK1LMNA
SCHEMBL5164111 0.76 RIPK1 (0.48) TRPA1AOC3SLC6A2RIPK1LMNA
SCHEMBL12014994 0.76 AOC3 (0.47) TRPA1AOC3SLC6A2RIPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563916-B2 Process for producing an alcohol or a silyl ether thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-07-21 US disclosed