Butane

Butane

SCHEMBL6828046

CCCC.CCOC(=O)C(=Cc1ccccc1)C(=O)OCC

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.93
KMT2A Q03164 7/20 0.93
MAPT P10636 9/20 0.68
LMNA P02545 4/20 0.68
NPSR1 Q6W5P4 3/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
S1PR4 O95977 1/20 0.68
S1PR1 P21453 1/20 0.68
MAPK1 P28482 1/20 0.68
NR1H4 Q96RI1 1/20 0.67
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HSP90AA1 P07900 2/20 0.58
HPGD P15428 1/20 0.58
POLB P06746 2/20 0.58
PLIN1 O60240 1/20 0.58
PLIN5 Q00G26 1/20 0.58
ABHD5 Q8WTS1 1/20 0.58

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
SCHEMBL935186 0.96 MEN1 (1.00) MEN1KMT2AMAPTLMNANPSR1
Benzene SCHEMBL27988126 0.96 MEN1 (1.00) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL28213002 0.92 MEN1 (0.84) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL14432387 0.91 MEN1 (0.90) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL2411174 0.91 MEN1 (0.90) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL27872595 0.91 MEN1 (0.90) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL7273126 0.90 KMT2A (0.87) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL9726815 0.90 MEN1 (0.87) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL12913257 0.90 KMT2A (0.87) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL9726818 0.90 MEN1 (0.87) MEN1KMT2AMAPTLMNANPSR1

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
WO-2004076425-A1 IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS CARNEGIE MELLON UNIVERSITY (US) 2004-09-10 WO disclosed