Butane

Butane

SCHEMBL6048693

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TRPA1 O75762 1/20 0.44
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.38
FAAH O00519 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PIN1 Q13526 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL166529 0.95 ALDH1A1 (0.50) ALDH1A1TRPA1LMNAHSD17B10ALOX15
Propane SCHEMBL6048777 0.92 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10ALOX15
Isobutane SCHEMBL6048714 0.90 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL10883177 0.84 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL28229924 0.83 ALDH1A1 (0.40) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL469732 0.82 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL3218141 0.82 ALDH1A1 (0.43) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL14888952 0.81 ALDH1A1 (0.39) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL14741538 0.80 ALDH1A1 (0.42) ALDH1A1TRPA1LMNAHSD17B10ALOX15
SCHEMBL11412088 0.80 ALOX15 (0.50) ALDH1A1TRPA1LMNAHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141634-B2 Catalyst for olefin polymerization and process for polymerizing olefins TOHO CATALYST CO., LTD. (JP) 2006-11-28 US disclosed
US-6984600-B2 Olefin polymerization catalyst TOHO CATALYST CO., LTD (JP) 2006-01-10 US disclosed
US-20050250918-A1 Catalyst for olefin polymerization and process for polymerizing olefins TOHO CATALYST CO., LTD. (JP) 2005-11-10 US disclosed
US-20050032991-A1 Olefin polymerization catalyst TOHO CATALYST CO, LTD. (JP) 2005-02-10 US disclosed