Butane

Butane

SCHEMBL7832973

CCCC.O=COC(=O)CCC(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
EGLN1 Q9GZT9 2/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
AKR1B1 P15121 1/20 0.39
LMNA P02545 2/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 7/20 0.38
PPARA Q07869 7/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 5/20 0.38

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
Succinic Acid SCHEMBL15323172 0.91 EGLN1 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL4377797 0.91 LMNA (0.47) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28055752 0.89 LMNA (0.45) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1119103 0.81
SCHEMBL1436576 0.81 TSHR (0.40) LMNATSHRALDH1A1
Benzene SCHEMBL27532007 0.80 ALDH1A1 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28044820 0.79
Ammonia Solution, Strong SCHEMBL28173328 0.79
SCHEMBL10567055 0.79
SCHEMBL460009 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946556-A4 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES LILLY CO ELI (US) 2001-07-04 EP disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
EP-0946556-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998027093-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO disclosed