SCHEMBL19209892

SCHEMBL19209892

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
TRPM8 Q7Z2W7 4/20 0.46
TRPA1 O75762 2/20 0.46
KCNA5 P22460 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
CYP19A1 P11511 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18280698 0.87 EPHX1 (0.45) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL4312363 0.87 EPHX1 (0.47) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL584085 0.85 EPHX1 (0.46) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL28953820 0.85 EPHX1 (0.54) EPHX1TRPM8TRPA1TRPV1CYP19A1
SCHEMBL120127 0.84 EPHX1 (0.45) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL8743483 0.83 EPHX1 (0.50) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL38660082 0.83 EPHX1 (0.50) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL15468048 0.83 EPHX1 (0.44) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL583665 0.83 EPHX1 (0.44) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL4314193 0.81 EPHX1 (0.43) EPHX1TRPM8TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411045-A1 CHEMICALS AND METHODS TO PREVENT AND TREAT TGF-BETA MEDIATED ACTIVATION OF FIBROBLASTS TO REDUCE AND TREAT CANCER AND FIBROSIS Board of Supervisors of Louisiana State University and Agricultural and Mechanical College (US) 2018-12-12 EP claimed
WO-2017136515-A1 CHEMICALS AND METHODS TO PREVENT AND TREAT TGF-BETA MEDIATED ACTIVATION OF FIBROBLASTS TO REDUCE AND TREAT CANCER AND FIBROSIS CARDELLI JAMES ALLEN (US) 2017-08-10 WO claimed
EP-3411045-A1 CHEMICALS AND METHODS TO PREVENT AND TREAT TGF-BETA MEDIATED ACTIVATION OF FIBROBLASTS TO REDUCE AND TREAT CANCER AND FIBROSIS Board of Supervisors of Louisiana State University and Agricultural and Mechanical College (US) 2018-12-12 EP disclosed
WO-2017136515-A1 CHEMICALS AND METHODS TO PREVENT AND TREAT TGF-BETA MEDIATED ACTIVATION OF FIBROBLASTS TO REDUCE AND TREAT CANCER AND FIBROSIS CARDELLI JAMES ALLEN (US) 2017-08-10 WO disclosed