Butane

Butane

SCHEMBL27605886

CCCC.OOc1ccccc1

nearest known ligand 0.50

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.50
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CA4 P22748 1/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ BAX Q07812 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.40
▸ KCNA3 P22001 1/20 0.40

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
SCHEMBL88339 0.86 — —
Diphenylether SCHEMBL23093711 0.83 LTA4H (0.71) LTA4HTSHRMAPTALOX12CA4
SCHEMBL28335624 0.83 — —
Water SCHEMBL11201989 0.83 — —
SCHEMBL11013066 0.83 — —
SCHEMBL29017383 0.83 — —
Isopropyl Alcohol SCHEMBL18394362 0.79 LMNA (0.52) LTA4HTSHRALOX12CA4NR1H2
Bicarbonate SCHEMBL5680603 0.78 PARP10 (0.54) LTA4HTSHRMAPTNR1H2BAX
Diphenylether SCHEMBL1756150 0.77 LTA4H (0.60) LTA4HTSHRMAPTALOX12NR1H2
Anisole SCHEMBL11151351 0.76 CA4 (0.78) LTA4HTSHRCA4HTT

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-1549701-A Deodorant composition — 2004-11-24 — — CN disclosed
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