Butane

Butane

SCHEMBL28297874

CCCC.[CH2]CCCOC(=O)C=C

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.74
HPGD P15428 1/20 0.74
ALDH1A1 P00352 5/20 0.63
CYP3A4 P08684 2/20 0.63
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
HSD17B10 Q99714 1/20 0.52
ATM Q13315 1/20 0.50
THRB P10828 3/20 0.47
HCAR2 Q8TDS4 4/20 0.44
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL717283 0.92
Ammonia Solution, Strong SCHEMBL28187879 0.90 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4TP53
Butane SCHEMBL28052997 0.88 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11582291 0.85 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1142915 0.85 TSHR (0.78) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL15037 0.85
SCHEMBL1331857 0.85
SCHEMBL5681395 0.85 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1330627 0.85
Butane SCHEMBL5143633 0.84 TSHR (0.81) TSHRHPGDALDH1A1CYP3A4TP53

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
CN-109689791-A The granular silicon composition of curability, the semiconductor component being made of it and its forming method 道康宁东丽株式会社 2019-04-26 CN disclosed