SCHEMBL3958542

SCHEMBL3958542

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.70
TRPM8 Q7Z2W7 5/20 0.53
TRPA1 O75762 2/20 0.53
SLC1A2 P43004 3/20 0.42
SLC1A1 P43005 2/20 0.42
KCNA5 P22460 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
GRM5 P41594 1/20 0.39
PMP22 Q01453 1/20 0.39
GRM1 Q13255 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
GRM4 Q14833 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3958539 1.00 EPHX1 (0.70) EPHX1TRPM8TRPA1SLC1A2SLC1A1
SCHEMBL1150651 1.00 EPHX1 (0.70) EPHX1TRPM8TRPA1SLC1A2SLC1A1
SCHEMBL10001722 1.00 EPHX1 (0.70) EPHX1TRPM8TRPA1SLC1A2SLC1A1
SCHEMBL464850 1.00 EPHX1 (0.70) EPHX1TRPM8TRPA1SLC1A2SLC1A1
SCHEMBL6128484 1.00 EPHX1 (0.70) EPHX1TRPM8TRPA1SLC1A2SLC1A1
SCHEMBL10034575 1.00 EPHX1 (0.70) EPHX1TRPM8TRPA1SLC1A2SLC1A1
SCHEMBL12381602 1.00 EPHX1 (0.70) EPHX1TRPM8TRPA1SLC1A2SLC1A1
SCHEMBL2637678 1.00 EPHX1 (0.70) EPHX1TRPM8TRPA1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL21331609 0.98 EPHX1 (0.68) EPHX1TRPM8TRPA1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL291654 0.98 EPHX1 (0.68) EPHX1TRPM8TRPA1SLC1A2SLC1A1

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-2276356-B1 WARMING SENSATE COMPOSITION FIRMENICH & CIE (CH) 2013-06-19 EP claimed
EP-1871738-B1 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE WEI EDWARD T (US) 2009-07-15 EP disclosed