SCHEMBL2904993

SCHEMBL2904993

CC(N)C(=O)C1(c2ccccc2)CCc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.40
KIF11 P52732 6/20 0.36
SIGMAR1 Q99720 1/20 0.36
EPHX2 P34913 2/20 0.35
EPHX1 P07099 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
SCD O00767 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL2904991 1.00 TRPM8 (0.40) TRPM8KIF11SIGMAR1EPHX2EPHX1
SCHEMBL1667521 0.84 KIF11 (0.39) TRPM8KIF11SIGMAR1EPHX2EPHX1
SCHEMBL1667518 0.84 KIF11 (0.39) TRPM8KIF11SIGMAR1EPHX2EPHX1
SCHEMBL4551228 0.82 TRPM8 (0.46) TRPM8SIGMAR1EPHX2EPHX1HDAC9
SCHEMBL29194054 0.73 OPRL1 (0.40) TRPM8SIGMAR1HDAC9ALDH1A1HCAR2
SCHEMBL3218026 0.70 TRPM8 (0.43) TRPM8SIGMAR1EPHX2EPHX1HDAC9
SCHEMBL3519974 0.68 TRPM8 (0.47) TRPM8SIGMAR1PPARGPPARA
Methyl Alcohol SCHEMBL28796336 0.68 SIGMAR1 (0.42) TRPM8SIGMAR1EPHX2EPHX1HDAC9
SCHEMBL29455981 0.68 TRPM8 (0.47) TRPM8SIGMAR1PPARGPPARA
SCHEMBL17476110 0.68 TRPM8 (0.41) TRPM8SIGMAR1EPHX2EPHX1HDAC9

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-1790733-B1 SCREENING METHOD AND SCREENING APPARATUS USING MICRO-CHAMBER ARRAY SUNTORY HOLDINGS LTD (JP) 2010-08-04 EP disclosed
US-20070269794-A1 Screening Method and Screening Apparatus Using Micro-Chamber Array SUNTORY HOLDINGS LIMITED (JP) 2007-11-22 US disclosed
CN-101014718-A Screening method using microchamber array and screening apparatus SUNTORY LTD (JP) 2007-08-08 CN disclosed
EP-1790733-A1 SCREENING METHOD AND SCREENING APPARATUS USING MICRO-CHAMBER ARRAY SUNTORY LIMITED (JP) 2007-05-30 EP disclosed