Heptane

Heptane

SCHEMBL20394201

CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.OCC(CO)(CO)CO

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
DNM1 Q05193 3/20 0.43
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
CYP2D6 P10635 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41

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
Undecane SCHEMBL27980003 1.00 LMNA (0.56) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL28110361 1.00 LMNA (0.56) LMNATSHRALDH1A1HSD17B10MEN1
Octane SCHEMBL20394165 1.00 LMNA (0.56) LMNATSHRALDH1A1HSD17B10MEN1
Nonane SCHEMBL20394146 1.00 LMNA (0.56) LMNATSHRALDH1A1HSD17B10MEN1
Hexane SCHEMBL8941754 0.97 SMN1; SMN2 (0.53) LMNATSHRALDH1A1HSD17B10MEN1
Hexane SCHEMBL20394309 0.97 SMN1; SMN2 (0.53) LMNATSHRALDH1A1HSD17B10MEN1
Hexane SCHEMBL27883537 0.97 SMN1; SMN2 (0.53) LMNATSHRALDH1A1HSD17B10MEN1
Cetostearyl Alcohol SCHEMBL23701087 0.91 LMNA (0.72) LMNATSHRALDH1A1HSD17B10MEN1
Cetostearyl Alcohol SCHEMBL8197751 0.91 LMNA (0.72) LMNATSHRALDH1A1HSD17B10MEN1
Cetyl Alcohol SCHEMBL27968509 0.91 LMNA (0.72) LMNATSHRALDH1A1HSD17B10MEN1

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
EP-3351611-A1 REFRIGERATION MACHINE OIL, COMPOSITION FOR REFRIGERATION MACHINES, AND COMPRESSION-TYPE REFRIGERATION MACHINE Idemitsu Kosan Co., Ltd (JP) 2018-07-25 EP disclosed