Butane

Butane

SCHEMBL3635485

CCCC.CCCCCCCCCCCCc1ccccc1CCl.N

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.55
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
KCNH2 Q12809 2/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL4618372 0.98 LIPG (0.56) LIPGNR1H2NR1H3KCNH2BID
Ammonia Solution, Strong SCHEMBL2313869 0.98 LIPG (0.56) LIPGNR1H2NR1H3KCNH2BID
Ammonia Solution, Strong SCHEMBL20657023 0.98 LIPG (0.56) LIPGNR1H2NR1H3KCNH2BID
Ammonia Solution, Strong SCHEMBL1109934 0.98 LIPG (0.56) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL6705516 0.96 LIPG (0.58) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL11780518 0.96 LIPG (0.58) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL11466723 0.96 LIPG (0.58) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL11870161 0.96 LIPG (0.58) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL10608856 0.96 LIPG (0.58) LIPGNR1H2NR1H3KCNH2BID
SCHEMBL11871253 0.96 LIPG (0.58) LIPGNR1H2NR1H3KCNH2BID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152274-A1 NASAL ADMINISTRATION OF BENZODIAZEPINES Questor Pharmaceuticals, Inc. (US) 2010-02-17 EP claimed
WO-2008137960-A1 NASAL ADMINISTRATION OF BENZODIAZEPINES QUESTOR PHARMACEUTICALS, INC. (US) 2008-11-13 WO claimed
CN-1188497-A Curable compositions CIBA GEIGY AG (CH) 1998-07-22 CN disclosed