Butane

Butane

SCHEMBL6048873

CC(C)CCOC(=O)CC(=O)OCCC(C)C.CCCC

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
CYP19A1 P11511 1/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 2/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
EPHX2 P34913 1/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL2267201 0.93 CYP19A1 (0.50) GAAMGAMSIMGAM2CYP19A1
Butane SCHEMBL6828567 0.90 CYP19A1 (0.42) GAAMGAMSIMGAM2CYP19A1
SCHEMBL28099367 0.84 CYP19A1 (0.47) GAAMGAMSIMGAM2CYP19A1
SCHEMBL17847707 0.83 GAA (0.46) GAAMGAMSIMGAM2CYP19A1
SCHEMBL112594 0.83 DGKA (0.47) GAACYP19A1CA12CA1CA2
SCHEMBL6635716 0.83 CYP19A1 (0.46) GAAMGAMSIMGAM2CYP19A1
SCHEMBL1171910 0.83 GAA (0.46) GAAMGAMSIMGAM2CYP19A1
SCHEMBL126952 0.82 NAAA (0.50) GAACYP19A1CA12CA1CA2
SCHEMBL28572438 0.82 NAAA (0.50) GAACYP19A1CA12CA1CA2
Ethane SCHEMBL5391797 0.81 CYP19A1 (0.45) GAAMGAMSIMGAM2CYP19A1

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