Butane

Butane

SCHEMBL8740779

CC(=O)c1cccc2ccccc12.CCCC

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
PTPN1 P18031 1/20 0.55
PLK1 P53350 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
CDC25B P30305 2/20 0.53
MMP3 P08254 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GMNN O75496 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
BLM P54132 2/20 0.51
PMP22 Q01453 2/20 0.51

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
SCHEMBL29365860 0.92 NR4A1 (0.65) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL50651 0.92 NR4A1 (0.65) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL28124684 0.92 NR4A1 (0.65) NR4A1NR4A2NR4A3PTPN1PLK1
Methane SCHEMBL27610063 0.90 NR4A1 (0.63) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL3107442 0.90 NR4A1 (0.63) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL3111152 0.90 NR4A1 (0.63) NR4A1NR4A2NR4A3PTPN1PLK1
SCHEMBL3119932 0.90 NR4A1 (0.63) NR4A1NR4A2NR4A3PTPN1PLK1
Acetic Acid SCHEMBL28811074 0.88 NR4A1 (0.67) NR4A1NR4A2NR4A3PTPN1PLK1
Methoxymethane SCHEMBL29101114 0.86 NR4A1 (0.59) NR4A1NR4A2NR4A3PTPN1PLK1
Tetrabuthylammonium SCHEMBL29130228 0.85 CNR2 (0.51) NR4A1NR4A2NR4A3MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5626852-A HYDROLYSIS OF ACETAL AND/OR KETAL THE MENNEN COMPANY (US) 1997-05-06 US claimed
EP-0625905-A4 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE. MENNEN CO (US) 1997-02-26 EP claimed
EP-0625905-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-11-30 EP claimed
WO-1994006441-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-03-31 WO claimed
US-5626852-A HYDROLYSIS OF ACETAL AND/OR KETAL THE MENNEN COMPANY (US) 1997-05-06 US disclosed
EP-0625905-A4 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE. MENNEN CO (US) 1997-02-26 EP disclosed
US-5378468-A Orthoester which produces a fragrant material by hydrolysis at the ph of the skin when applied; deodorant sticks THE MENNEN COMPANY (US) 1995-01-03 US disclosed
EP-0625905-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-11-30 EP disclosed
WO-1994006441-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-03-31 WO disclosed