Butane

Butane

SCHEMBL8723612

CCCC.COc1ccc(C(O[PH](=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AOC3 Q16853 2/20 0.39
ACP3 P15309 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
FAAH O00519 1/20 0.38
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
NR1I2 O75469 1/20 0.38
AKR1C1 Q04828 1/20 0.38
PTGS1 P23219 1/20 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
Butane SCHEMBL8718621 0.81 L3MBTL1 (0.47) AOC3TAS1R3TAS1R1L3MBTL1
Butane SCHEMBL4262589 0.81 CYP1A2 (0.37) POLBMEN1KMT2A
Butane SCHEMBL4824910 0.81 POLB (0.42) POLBMEN1KMT2AALDH1A1L3MBTL1
Butane SCHEMBL1339345 0.77 CA1 (0.44) TAS1R3TAS1R1NR1I2
SCHEMBL31564842 0.72 CA1 (0.38) MEN1KMT2AAOC3ACP3ALDH1A1
Butane SCHEMBL3765407 0.71 IDO1 (0.47) POLBALDH1A1NPC1
SCHEMBL3762861 0.71 MAPT (0.33) POLBMEN1KMT2AALDH1A1
SCHEMBL767298 0.70 ESR1 (0.40) POLBKMT2A
SCHEMBL2948040 0.69 ALDH1A1 (0.42) MEN1KMT2AAOC3ALDH1A1TAS1R3
SCHEMBL18062411 0.69 CA12 (0.48) POLBMEN1KMT2AAOC3ALDH1A1

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-5840454-A Aromatic polycarbonate and electrophotographic photosensitive medium using same RICOH COMPANY, LTD. (JP) 1998-11-24 US disclosed