Butane

Butane

SCHEMBL8720911

CCCC.O=[N+]([O-])c1ccc(CO[PH](=O)O)cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.51
AKR1C3 P42330 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAOB P27338 2/20 0.47
TSHR P16473 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
CACNA1C Q13936 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL2058336 0.94 IDO1 (0.58) IDO1AKR1C3ALDH1A1MAOBTSHR
SCHEMBL2058333 0.80 IDO1 (0.61) IDO1AKR1C3ALDH1A1MAOBTSHR
Butane SCHEMBL8002745 0.80 IDO1 (0.42) IDO1ALDH1A1TSHRMEN1TP53
Butane SCHEMBL9443644 0.78 APP (0.41) ALDH1A1MAOBTSHRCYP1A2MAPT
Butane SCHEMBL3196642 0.78 AGXT (0.44) IDO1ALDH1A1MAOBCYP1A2MAPT
SCHEMBL7761382 0.78 IDO1 (0.54) IDO1AKR1C3ALDH1A1MAOBTSHR
Butane SCHEMBL9160588 0.77 ALDH1A1 (0.41) AKR1C3ALDH1A1BCL9CTNNB1CYP1A2
Butane SCHEMBL6056712 0.77 IDO1 (0.42) IDO1ALDH1A1MAOBMAOA
Butane SCHEMBL2802241 0.77 POLB (0.42) IDO1ALDH1A1MAOBMEN1MAPT
Butane SCHEMBL1238313 0.76 ALDH1A1 (0.46) IDO1ALDH1A1MAOBTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801935-B Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2014-12-03 CN disclosed
CN-103608333-A Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS INC 2014-02-26 CN disclosed
CN-103384664-A Anti-viral compounds ABBVIE INC 2013-11-06 CN disclosed
CN-102746239-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2012-10-24 CN disclosed
CN-101208371-B Method for preparing polyester and polyester manufactured by the method as well as polyester formed body TOYO BOSEKI 2011-08-10 CN disclosed
CN-101918369-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2010-12-15 CN disclosed
CN-101801935-A Uracil or thymine derivatives for the treatment of hepatitis C ABBOTT LAB 2010-08-11 CN disclosed
CN-101208371-A Method for preparing polyester and polyester manufactured by the method as well as polyester formed body TOYO BOSEKI (JP) 2008-06-25 CN disclosed
EP-0868682-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE Akzo Nobel N.V. (NL) 1998-10-07 EP disclosed
US-5776375-A CONTAINING NONLINEAR OPTICALLY ACTIVE POLYMER AKZO NOBEL N.V. (NL) 1998-07-07 US disclosed
CN-1156849-A Organosilicon-modified charge transporting compound and curable composition containing compound and having charge transporting ability DOW CORNING ASIA LTD (JP) 1997-08-13 CN disclosed
WO-1997023807-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE AKZO NOBEL N.V. (NL) 1997-07-03 WO disclosed
EP-0780722-A1 Electro-optical device stable in the 600-1600 nanometer wavelength range Akzo Nobel N.V. (NL) 1997-06-25 EP disclosed
US-5416112-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1995-05-16 US disclosed
US-5097022-A Bisazo pigments for use in electrophotographic photoconductors RICOH COMPANY, LTD. (JP) 1992-03-17 US disclosed