SCHEMBL2684077

SCHEMBL2684077

CC(C)CC1CC(C)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN1A P35498 1/20 0.34
HTR2B P41595 1/20 0.34
MTOR P42345 1/20 0.34
SLC18A2 Q05940 1/20 0.34
SCN2A Q99250 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN3A Q9NY46 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
SCHEMBL2691336 0.82
SCHEMBL23336338 0.79 MME (0.33) MMEKDM4EABCB11ALDH1A1POLB
SCHEMBL6440187 0.76
SCHEMBL28925125 0.71 MAPT (0.38) ALDH1A1MAPTMAPK1
SCHEMBL11042273 0.69 ITGB3 (0.39) ALDH1A1POLBMAPTTSHR
SCHEMBL7622428 0.69 MEN1 (0.34) KDM4EALDH1A1MAPTHPGD
SCHEMBL7619973 0.69 FAAH (0.34) ALDH1A1
SCHEMBL14268186 0.68 MAPT (0.39) MMEKDM4EABCB11ALDH1A1POLB
SCHEMBL30835561 0.68 MME (0.34) MME
SCHEMBL12646231 0.68 TLR4 (0.31)

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
CN-102465045-A Additive and method for improving combustion efficiency of liquid fuel KAIXIONG CAI 2012-05-23 CN claimed
US-20120110900-A1 Liquid fuel composition and method for enhancing combustion efficiency of a liquid fuel TSAI KAI-SHON (TW) 2012-05-10 US claimed
CN-102465045-A Additive and method for improving combustion efficiency of liquid fuel KAIXIONG CAI 2012-05-23 CN disclosed
US-20120110900-A1 Liquid fuel composition and method for enhancing combustion efficiency of a liquid fuel TSAI KAI-SHON (TW) 2012-05-10 US disclosed