Butane

Butane

SCHEMBL6049530

CCCC.O=C(O)CC(=O)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
FFAR1 O14842 1/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NLRP1 Q9C000 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL9595502 0.94 TDP1 (0.60) TDP1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL9595497 0.85 TDP1 (0.56) TDP1TSHRSMN1; SMN2L3MBTL1MAPT
Butyric Acid SCHEMBL28317751 0.84 TDP1 (0.53) TDP1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL2708161 0.83 CYP1A2 (0.56) TDP1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL11275492 0.83 MAPT (0.54) TDP1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL1678635 0.82 L3MBTL1 (0.55) TDP1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL9799896 0.82 L3MBTL1 (0.55) TDP1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL28921963 0.81 CYP1A2 (0.54) TDP1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL27765388 0.79 MAPT (0.57) TDP1TSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL645781 0.79 TDP1 (0.56) TDP1TSHRSMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1681058-A2 Pharmacologically active cns compounds THE WELLCOME FOUNDATION LIMITED (GB) 2006-07-19 EP disclosed
EP-1325916-A1 Piperazinyl-substituted phenyl pyrimidine derivatives useful in the treatment or prevention of disorders of the central nervous system THE WELLCOME FOUNDATION LIMITED (GB) 2003-07-09 EP disclosed
US-5712276-A TREATING NERVOUS SYSTEM DISORDERS GLAXO WELLCOME INC. (US) 1998-01-27 US disclosed
US-5684005-A PHENYLPYRIMIDINE COMPOUNDS AS INHIBITORS OF EXCITATORY AMINO ACID GLUTAMATE GLAXO WELLCOME INC. (US) 1997-11-04 US disclosed
US-5635507-A PIPERAZINYL PHENYLPYRIMIDINE COMPOUND TREATING BRAIN DISORDER GLAXO WELLCOME INC. (US) 1997-06-03 US disclosed
US-5597828-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS CEREBRAL ISCHEMIC DAMAGE AND EPILEPSY GLAXO WELLCOME INC. (US) 1997-01-28 US disclosed
US-5597827-A CENTRAL NERVOUS SYSTEM DISORDERS AND ANTIISCHEMIC AGENTS GLAXO WELLCOME INC. 1997-01-28 US disclosed
US-5591746-A GLUTAMATE INHIBITORS; CENTRAL NERVOUS SYSTEM DISORDERS GLAXO WELLCOME INC. 1997-01-07 US disclosed
US-5587380-A ANTIISCHEMIC AGENTS GLAXO WELLCOME INC. (US) 1996-12-24 US disclosed
EP-0727213-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP disclosed
EP-0727214-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP disclosed
EP-0727212-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP disclosed
EP-0715851-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-12 EP disclosed
EP-0713703-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-29 EP disclosed
US-5136080-A Intermediates for glutamate inhibitors BURROUGHS WELLCOME CO. (US) 1992-08-04 US disclosed
EP-0372934-A2 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP disclosed