Butane

Butane

SCHEMBL6439330

CCCC.O=C(O)CCO

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
AKR1B1 P15121 1/20 0.52
GPR84 Q9NQS5 8/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50

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
Propanol SCHEMBL7066224 0.94 FFAR3 (0.61) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL2127551 0.91 FFAR3 (0.77) FFAR3HDAC3HDAC1HDAC2HDAC8
Hexane SCHEMBL6251040 0.88 AKR1B1 (0.70) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL1124617 0.88 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Methyl Alcohol SCHEMBL27867972 0.87
Ethane SCHEMBL989138 0.87
Methyl Alcohol SCHEMBL6401310 0.87 CAMK2A (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL21114358 0.87 CAMK2A (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28580 0.87
Valeric Acid SCHEMBL28099660 0.86 AKR1B1 (0.67) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1182189-B1 Process for recovering butyl acrylate substantially free from acrylic acid ROHM & HAAS (US) 2005-03-09 EP disclosed
US-6506930-B1 Charging reactor with C1-C4 alcohol, (meth)acrylic acid, strong acid catalyst, inhibitor and water to form mixture, reacting to form a C1-C4 alkyl (meth) acrylate and process impurities which are hydrolyzed, separating ester and water ROHM AND HAAS COMPANY 2003-01-14 US disclosed
EP-0779268-B1 Process for producing alkyl acrylate ROHM & HAAS (US) 2002-06-19 EP disclosed
EP-1182189-A2 Process for recovering butyl acrylate substantially free from acrylic acid ROHM AND HAAS COMPANY (US) 2002-02-27 EP disclosed
EP-0916643-B1 A process for preparing alkyl (meth)acrylates ROHM & HAAS (US) 2001-12-19 EP disclosed
US-6180819-B1 DISTILLING FROM ESTERIFICATION REACTOR VAPORIZED MIXTURE OF ACRYLIC ACID, ALKYL ACRYLATE, ALKANOL AND WATER, SEPARATING ORGANIC AND AQUEOUS PHASES, FEEDING TO ACRYLIC ACID SEPARATION COLUMN, DISTILLING AZEOTROPE MIXTURE, SEPARATING ESTER ROHM AND HAAS COMPANY 2001-01-30 US disclosed
EP-0916643-A1 A process for preparing alkyl (meth)acrylates ROHM AND HAAS COMPANY (US) 1999-05-19 EP disclosed
EP-0779268-A1 Process for producing alkyl acrylate ROHM AND HAAS COMPANY (US) 1997-06-18 EP disclosed