Heptane

Heptane

SCHEMBL9400850

C1CCCCC1.CCCCCCC.CCCCCCO.CO

nearest known ligand 0.77

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
ALDH1A1 P00352 2/20 0.77
TSHR P16473 2/20 0.77
HSD17B10 Q99714 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.71
THRB P10828 2/20 0.47
DNM1 Q05193 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
Octanol SCHEMBL8507264 0.97 LMNA (0.81) LMNAMEN1KMT2AALDH1A1TSHR
Octanol SCHEMBL28796054 0.97 LMNA (0.81) LMNAMEN1KMT2AALDH1A1TSHR
1-Heptanol SCHEMBL8987452 0.97 LMNA (0.81) LMNAMEN1KMT2AALDH1A1TSHR
1-Hexanol SCHEMBL4381556 0.97 LMNA (0.81) LMNAMEN1KMT2AALDH1A1TSHR
Decanol SCHEMBL2858658 0.97 LMNA (0.81) LMNAMEN1KMT2AALDH1A1TSHR
Dodecanol SCHEMBL10928955 0.97 LMNA (0.81) LMNAMEN1KMT2AALDH1A1TSHR
Cyclohexane SCHEMBL2370689 0.94 SMN1; SMN2 (0.80) LMNAMEN1KMT2AALDH1A1TSHR
Cyclohexane SCHEMBL2530015 0.91 SMN1; SMN2 (0.75) LMNAMEN1KMT2AALDH1A1TSHR
Octanol SCHEMBL10716445 0.91 LMNA (0.93) LMNAMEN1KMT2AALDH1A1TSHR
1-Heptanol SCHEMBL9723548 0.91 LMNA (0.93) LMNAMEN1KMT2AALDH1A1TSHR

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-5362841-A Controlling ph, coupling catalyst THE DOW CHEMICAL COMPANY (US) 1994-11-08 US disclosed