SCHEMBL28100618

SCHEMBL28100618

Cc1ccccc1C1(C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.43
TDP1 Q9NUW8 3/20 0.41
HDAC4 P56524 1/20 0.40
OPRM1 P35372 2/20 0.39
ACHE P22303 2/20 0.36
TSHR P16473 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL21543374 0.79 PDK2 (0.43) PDK2HDAC4L3MBTL1
SCHEMBL19205328 0.77 PDK2 (0.46) PDK2TDP1HDAC4L3MBTL1
SCHEMBL18797720 0.76 RORC (0.47) PDK2TDP1HDAC4L3MBTL1RORC
SCHEMBL21543242 0.75 PDK2 (0.44) PDK2HDAC4OPRM1TSHROPRK1
SCHEMBL20455827 0.75 PDK2 (0.43) PDK2HDAC4
SCHEMBL19205349 0.75 PDK2 (0.47) PDK2TDP1OPRM1TSHROPRD1
SCHEMBL19291084 0.75 PDK2 (0.47) PDK2HDAC4
SCHEMBL23206456 0.73 ALDH1A1 (0.42) PDK2TSHRL3MBTL1
SCHEMBL18797724 0.72 PDK2 (0.42) PDK2HDAC4RORC
SCHEMBL19743353 0.71 PDK2 (0.43) PDK2TDP1ACHETSHRL3MBTL1

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
CN-103443080-B There is the sulfonamide compounds of TRPM8 antagonistic activity 田边三菱制药株式会社 2016-10-12 CN disclosed