Tetradecane

Tetradecane

SCHEMBL27836712

CCCCCCCCCCCCCC.CCOC(C)O

nearest known ligand 0.43

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.43
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 5/20 0.41
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMPD1 P17405 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL27662509 1.00 SPHK1 (0.43) SPHK1TSHRTHRBLMNAMAPT
Tridecane SCHEMBL28803872 1.00 SPHK1 (0.43) SPHK1TSHRTHRBLMNAMAPT
SCHEMBL28253005 1.00 SPHK1 (0.43) SPHK1TSHRTHRBLMNAMAPT
Dodecane SCHEMBL27817167 1.00 SPHK1 (0.43) SPHK1TSHRTHRBLMNAMAPT
Hexadecane SCHEMBL27817189 1.00 SPHK1 (0.43) SPHK1TSHRTHRBLMNAMAPT
SCHEMBL367509 0.89 HTT (0.52) SPHK1TSHRTHRBMAPTMEN1
SCHEMBL9273726 0.89
SCHEMBL27614609 0.86
SCHEMBL27720603 0.86 LMNA (0.53) TSHRTHRBLMNAALDH1A1HSD17B10
SCHEMBL15882 0.86

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-102105427-A Particle size diameter range 90) Is greater than 3 μm to about 10 μmAtovaquone of m ALPHAPHARM PTY LTD 2011-06-22 CN disclosed