Heptane

Heptane

SCHEMBL20838487

CCCCCCC.O=C=O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
THRB P10828 1/20 0.67
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
EPHX2 P34913 1/20 0.47
DNM1 Q05193 5/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC22A1 O15245 1/20 0.47

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
Decane SCHEMBL15911069 1.00 TSHR (0.67) TSHRTHRBCES2CES1EPHX2
Hexadecane SCHEMBL28658092 1.00 TSHR (0.67) TSHRTHRBCES2CES1EPHX2
Hexane SCHEMBL10567935 0.96
Hexane SCHEMBL8620321 0.92 TSHR (0.54) TSHRTHRBCES2CES1EPHX2
Hexadecane SCHEMBL11410358 0.89 TSHR (0.53) TSHRTHRBCES2CES1EPHX2
Pentane SCHEMBL10411542 0.87
Tridecane SCHEMBL25167740 0.85 TSHR (0.57) TSHRTHRBCES2CES1EPHX2
Tetradecane SCHEMBL25170575 0.85 TSHR (0.57) TSHRTHRBCES2CES1EPHX2
Tetradecane SCHEMBL8743025 0.85 TSHR (0.57) TSHRTHRBCES2CES1EPHX2
SCHEMBL25272132 0.85 TSHR (0.57) TSHRTHRBCES2CES1EPHX2

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
US-20190093967-A1 Slurry Droplet Melting Heat Exchange U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION 2019-03-28 US disclosed