SCHEMBL28030332

SCHEMBL28030332

CC(=O)OC1CCC(C)=CC1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R46 P59540 2/20 0.39
CHRM2 P08172 5/20 0.37
CHRM1 P11229 3/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CHRM4 P08173 2/20 0.37
CHRM3 P20309 2/20 0.37
TDP1 Q9NUW8 1/20 0.34
SLC18A3 Q16572 2/20 0.33
PTGS2 P35354 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL2005576 0.83 CHRM2 (0.40) TAS2R46CHRM2CHRM1ALDH1A1LMNA
SCHEMBL3672951 0.80 TAS2R46 (0.41) TAS2R46CHRM2CHRM1MEN1CYP2D6
SCHEMBL3672947 0.80 TAS2R46 (0.41) TAS2R46CHRM2CHRM1MEN1CYP2D6
SCHEMBL28858253 0.77 ACHE (0.37) ALDH1A1
SCHEMBL8031761 0.76 MEN1 (0.31) MEN1CYP2D6KMT2AALDH1A1TDP1
SCHEMBL3672219 0.76 TAS2R46 (0.39) TAS2R46CHRM2CHRM1MEN1CYP2D6
SCHEMBL3672216 0.76 TAS2R46 (0.39) TAS2R46CHRM2CHRM1MEN1CYP2D6
SCHEMBL19197637 0.75 SLC18A3 (0.44) TAS2R46POLBTDP1SLC18A3TSHR
SCHEMBL13677475 0.75 CYP19A1 (0.40) TAS2R46CHRM2CHRM1MEN1CYP2D6
SCHEMBL13989191 0.73 ALDH1A1 (0.43) TAS2R46MEN1CYP2D6KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110049684-A Oil-in-water type emulsified perfume composition containing terpene series hydrocarbon perfume compound in large amount 长谷川香料株式会社 2019-07-23 CN disclosed
CN-105212170-B Apple flavour reinforcers and apple taste Enhancement Method 长谷川香料株式会社 2019-03-01 CN disclosed
CN-104812256-B Disintegratable capsule and its manufacturing method and smoking apparatus comprising disintegratable capsule 三生医药株式会社 2018-12-11 CN disclosed
CN-105212170-A Apple flavour reinforcers and apple taste Enhancement Method HASEGAWA T CO LTD 2016-01-06 CN disclosed
CN-104812256-A Disintegrable capsule, manufacturing method for same, and smoking equipment containing disintegrable capsule SUNSHO PHARMACEUTICAL CO LTD 2015-07-29 CN disclosed