Verbenone

Verbenone

SCHEMBL4254806

CC1(C)C2CC=C(C=O)C1C2.CC1=CC(=O)C2CC1C2(C)C

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 4/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HMGCR P04035 1/20 0.32

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
Piperitone SCHEMBL1767896 0.85 MAPK1 (0.37) MAPK1TSHRALOX12ALDH1A1KDM4E
SCHEMBL228374 0.83 MAPK1 (0.55) MAPK1TSHRALOX12ALDH1A1KDM4E
SCHEMBL5391946 0.83 MAPK1 (0.55) MAPK1TSHRALOX12ALDH1A1KDM4E
SCHEMBL1300746 0.83 MAPK1 (0.55) MAPK1TSHRALOX12ALDH1A1KDM4E
Levoverbenone SCHEMBL21046 0.78 TSHR (0.41) MAPK1TSHR
Verbenone SCHEMBL10615025 0.78 TSHR (0.41) MAPK1TSHR
Verbenone SCHEMBL118161 0.78 TSHR (0.41) MAPK1TSHR
Verbenone SCHEMBL12914978 0.78 TSHR (0.41) MAPK1TSHR
Verbenone SCHEMBL3506768 0.78 TSHR (0.41) MAPK1TSHR
Verbenone SCHEMBL6562635 0.78 TSHR (0.41) MAPK1TSHR

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
JP-52151156-A None JP disclosed
WO-2009117623-A2 PEST CONTROL USING NATURAL PEST CONTROL AGENT BLENDS TYRATECH, INC. (US) 2009-09-24 WO disclosed
JP-S52151156-A PRERARATION AND CLINYCAL USE OF VERBENONE * MYRTENAL AND PINOCARVEOL CORVI MORA E 1977-12-15 JP disclosed