Butane

Butane

SCHEMBL7228806

CCCC.O=Cc1cccc2ccccc12

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
RXRA P19793 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CHAT P28329 3/20 0.43
CNR1 P21554 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMPD2 O60906 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
Alcohol SCHEMBL28080393 0.90 MTNR1A (0.47) TDP1MEN1LMNATHRBBLM
SCHEMBL35849993 0.89 MEN1 (0.57) TDP1MEN1LMNATHRBBLM
SCHEMBL9005 0.89 MEN1 (0.57) TDP1MEN1LMNATHRBBLM
SCHEMBL11132298 0.87 MEN1 (0.55) TDP1MEN1LMNATHRBBLM
Hydrochloric Acid SCHEMBL31671086 0.87 MEN1 (0.55) TDP1MEN1LMNATHRBBLM
SCHEMBL3107253 0.87 MEN1 (0.55) TDP1MEN1LMNATHRBBLM
Potassium SCHEMBL31317026 0.87 MEN1 (0.55) TDP1MEN1LMNATHRBBLM
Hydrochloric Acid SCHEMBL10384676 0.87 MEN1 (0.55) TDP1MEN1LMNATHRBBLM
SCHEMBL3109583 0.87 MEN1 (0.55) TDP1MEN1LMNATHRBBLM
SCHEMBL3115624 0.87 MEN1 (0.55) TDP1MEN1LMNATHRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed