SCHEMBL8409145

SCHEMBL8409145

CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C1C=CC2=C1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
EPHX1 P07099 1/20 0.35
KCNA5 P22460 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TRPV1 Q8NER1 1/20 0.30
LMNA P02545 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
SCHEMBL9080881 0.69 TRPM8 (0.60) TRPA1TRPM8EPHX1KCNA5ALDH1A1
SCHEMBL10700913 0.67 TRPA1 (0.36) TRPA1TRPM8EPHX1KCNA5ALDH1A1
SCHEMBL9487930 0.65 TRPM8 (0.55) TRPA1TRPM8EPHX1KCNA5ALDH1A1
SCHEMBL9340641 0.65 TRPM8 (0.55) TRPA1TRPM8EPHX1KCNA5ALDH1A1
SCHEMBL8548065 0.64 TRPM8 (0.59) TRPA1TRPM8EPHX1KCNA5ALDH1A1
SCHEMBL4877337 0.63 TRPM8 (0.48) TRPA1TRPM8EPHX1KCNA5ALDH1A1
SCHEMBL18428166 0.62 TRPM8 (0.47) TRPA1TRPM8EPHX1KCNA5ALDH1A1
SCHEMBL6252661 0.62
SCHEMBL25349880 0.61 TRPM8 (0.50) TRPA1TRPM8EPHX1KCNA5ALDH1A1
SCHEMBL4652581 0.61

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-5929266-A ZIRCONIUM, HAFNIUM, TITANIUM CYCLOPENTADIENE COMPOUNDS USEFUL IN ASYMMETRIC SYNTHESIS ZENECA LIMITED (GB) 1999-07-27 US disclosed