Verbenone

Verbenone

SCHEMBL11546159

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

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
Verbenone SCHEMBL10615025 0.83 TSHR (0.41) TSHRMAPK1
SCHEMBL596019 0.83 TSHR (0.41) TSHRMAPK1CNR1CNR2
SCHEMBL1302577 0.83 TSHR (0.41) TSHRMAPK1CNR1CNR2
SCHEMBL1065045 0.83 TSHR (0.41) TSHRMAPK1CNR1CNR2
SCHEMBL247526 0.83 TSHR (0.41) TSHRMAPK1CNR1CNR2
SCHEMBL9292756 0.83 TSHR (0.41) TSHRMAPK1CNR1CNR2
SCHEMBL10296745 0.83 TSHR (0.41) TSHRMAPK1CNR1CNR2
Verbenone SCHEMBL3506768 0.83 TSHR (0.41) TSHRMAPK1
Verbenone SCHEMBL12914978 0.83 TSHR (0.41) TSHRMAPK1
SCHEMBL10869333 0.83 TSHR (0.41) TSHRMAPK1CNR1CNR2

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-4157451-A REDUCTION OF VERBENONE, PYROLYSIS FIRMENICH, S.A. (CH) 1979-06-05 US disclosed