SCHEMBL8844802

SCHEMBL8844802

CC(C)[C@H]1CC=C(C=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50

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
SCHEMBL220029 1.00 TRPA1 (0.50) TRPA1
SCHEMBL12654266 0.87 TRPA1 (0.41) TRPA1
SCHEMBL18413318 0.85 TRPA1 (0.47) TRPA1
SCHEMBL4953851 0.75 PTPN1 (0.31)
SCHEMBL11883068 0.75 TRPA1 (0.42) TRPA1
SCHEMBL30149939 0.74
SCHEMBL1785796 0.74
SCHEMBL10063290 0.74
SCHEMBL29988612 0.72
SCHEMBL29822373 0.72

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
US-5688673-A GENETIC ENGINEERING OF PLASMIDS USING BACILLUS TO FORM DNA SEGMENTS AND CONVERTING LIMONENE TO MONOTERPENE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1997-11-18 US disclosed
US-5652137-A Process and bacterial cultures for the preparation of perillyl compounds BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1997-07-29 US disclosed
US-5487988-A Preparation of perillyl compounds using Bacillus stearothermophilus BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1996-01-30 US disclosed