Heptane

Heptane

SCHEMBL3728317

CCCCCCC.CO.Cc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
ACHE P22303 1/20 0.55
HTT P42858 2/20 0.50
PCSK9 Q8NBP7 1/20 0.48
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
NAAA Q02083 1/20 0.46
LIPG Q9Y5X9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
DNM1 Q05193 1/20 0.44
EPHX1 P07099 2/20 0.43
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
Toluene SCHEMBL8635446 0.97 LMNA (0.58) LMNATSHRALOX12ACHEHTT
Heptane SCHEMBL4956557 0.95 LMNA (0.50) LMNATSHRALOX12ACHEHTT
Dodecane SCHEMBL4946383 0.95 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Heptane SCHEMBL7745742 0.95 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Octane SCHEMBL11135695 0.95 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Octane SCHEMBL11193559 0.95 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Heptane SCHEMBL16466974 0.95 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Decane SCHEMBL7261270 0.95 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Heptane SCHEMBL6664964 0.95 TSHR (0.61) LMNATSHRALOX12ACHEHTT
Heptane SCHEMBL11509356 0.95 TSHR (0.61) LMNATSHRALOX12ACHEHTT

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
US-7825296-B2 Polynucleotides and polypeptides in plants MENDEL BIOTECHNOLOGY, INC. (US) 2010-11-02 US disclosed
US-20070101454-A1 Polynucleotides and polypeptides in plants MENDEL BIOTECHNOLOGY (US) 2007-05-03 US disclosed