SCHEMBL17698405

SCHEMBL17698405

CC1CCC(C(C)C)CC1.O=C(O)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
LMNA P02545 2/20 0.33
ALOX5 P09917 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRL1 P41146 2/20 0.32
POLB P06746 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
EPHX2 P34913 1/20 0.30
KDM4E B2RXH2 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
Bicarbonate SCHEMBL10767839 0.91 EPHX1 (0.39) EPHX1MEN1KMT2AALDH1A1TRPA1
Hydrogen Peroxide SCHEMBL65467 0.88 TRPA1 (0.41) EPHX1MEN1KMT2AALDH1A1TRPA1
Carbamic Acid SCHEMBL1512882 0.86 EPHX1 (0.46) EPHX1MEN1KMT2AALDH1A1TRPA1
SCHEMBL2057747 0.84 EPHX1 (0.42) EPHX1MEN1KMT2AALDH1A1TRPA1
SCHEMBL7979 0.83 TRPA1 (0.39) EPHX1MEN1KMT2AALDH1A1TRPA1
SCHEMBL1760669 0.83 TRPA1 (0.39) EPHX1MEN1KMT2AALDH1A1TRPA1
SCHEMBL452781 0.83 TRPA1 (0.39) EPHX1MEN1KMT2AALDH1A1TRPA1
Sulfuric Acid SCHEMBL27347669 0.82 TRPA1 (0.34) EPHX1MEN1KMT2AALDH1A1TRPA1
Acrylic Acid SCHEMBL29791473 0.81 LMNA (0.40) EPHX1MEN1KMT2AALDH1A1TRPA1
Charcoal, Activated SCHEMBL4530459 0.80 TRPA1 (0.37) EPHX1TRPA1TRPM8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2660233-B1 NOVEL ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2016-11-16 EP claimed
EP-2660232-B1 NOVEL ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2016-04-27 EP claimed