Heptane

Heptane

SCHEMBL8664516

CCCCCCC.NC(O)=S.NC(O)=S

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
THRB P10828 1/20 0.53
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
DNM1 Q05193 4/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 2/20 0.47
EPHX1 P07099 1/20 0.47
PPARG P37231 4/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 4/20 0.46
GPR84 Q9NQS5 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
TLR2 O60603 1/20 0.46

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
Tetradecane SCHEMBL8432389 1.00 TSHR (0.53) TSHRTHRBSPHK2SPHK1MEN1
Octane SCHEMBL6291816 1.00 TSHR (0.53) TSHRTHRBSPHK2SPHK1MEN1
Tridecane SCHEMBL6291874 1.00 TSHR (0.53) TSHRTHRBSPHK2SPHK1MEN1
Dodecane SCHEMBL8374269 1.00 TSHR (0.53) TSHRTHRBSPHK2SPHK1MEN1
Tetradecane SCHEMBL7768520 1.00 TSHR (0.53) TSHRTHRBSPHK2SPHK1MEN1
Octane SCHEMBL28155456 1.00 TSHR (0.53) TSHRTHRBSPHK2SPHK1MEN1
Dodecane SCHEMBL2496613 0.97 TSHR (0.50) TSHRTHRBSPHK2SPHK1MEN1
Octane SCHEMBL28594106 0.97 TSHR (0.50) TSHRTHRBSPHK2SPHK1MEN1
Dodecane SCHEMBL8388429 0.97 TSHR (0.50) TSHRTHRBSPHK2SPHK1MEN1
Dodecane SCHEMBL8390187 0.97 TSHR (0.50) TSHRTHRBSPHK2SPHK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10076240-A None JP disclosed
JP-H1076240-A HEAVY METAL FIXING AGENT NIPPON SODA CO LTD 1998-03-24 JP disclosed