SCHEMBL18944189

SCHEMBL18944189

CC1(C)[C@@H]2C[C@H]1C(=O)C=C2CO

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.33

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 SCHEMBL17204632 0.76 TSHR (0.35) BUB1
Verbenone SCHEMBL17204705 0.76 TSHR (0.35) BUB1
SCHEMBL18944058 0.74 ELANE (0.34)
SCHEMBL821682 0.74 ELANE (0.34)
Verbenone SCHEMBL10615025 0.72 TSHR (0.41) BUB1
Verbenone SCHEMBL3506768 0.72 TSHR (0.41) BUB1
Verbenone SCHEMBL118161 0.72 TSHR (0.41) BUB1
Verbenone SCHEMBL12914978 0.72 TSHR (0.41) BUB1
Verbenone SCHEMBL6562635 0.72 TSHR (0.41) BUB1
SCHEMBL11762192 0.68 BUB1 (0.31) BUB1

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
WO-2017093749-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CANNABINOID COMPOUNDS E-THERAPEUTICS PLC (GB) 2017-06-08 WO disclosed