SCHEMBL27872129

SCHEMBL27872129

CC(C)(O)O.CCCCOC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.36
LPAR3 Q9UBY5 3/20 0.34
FDPS P14324 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34
GGPS1 O95749 1/20 0.34
SMPD1 P17405 1/20 0.34
CES1 P23141 1/20 0.34
HPGD P15428 1/20 0.33

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
Methyl Alcohol SCHEMBL4943823 0.85
SCHEMBL8774 0.85
SCHEMBL9002969 0.83 ALDH1A1 (0.44) TSHRCYP3A4ADRB2ADRB1ADRB3
Alcohol SCHEMBL16584691 0.82
SCHEMBL27872127 0.82 TSHR (0.33) TSHRALDH1A1FDPS
Methoxymethane SCHEMBL22364221 0.82
SCHEMBL11574005 0.82
SCHEMBL28859283 0.82
Hexane SCHEMBL8140309 0.82 CYP3A4 (0.48) TSHRCYP3A4ADRB2ADRB1ADRB3
SCHEMBL9614568 0.82

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-101883957-B Refrigerant compressor and refrigerating cycle HITACHI APPLIANCES INC 2012-05-02 CN disclosed