Butane

Butane

SCHEMBL7938601

CCCC.CCOC(=O)c1ccc2ccccc2c1C(=O)OCC

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.60
TSHR P16473 1/20 0.56
CDC25A P30304 1/20 0.56
CDC25C P30307 1/20 0.56
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
GAA P10253 2/20 0.54
GLA P06280 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSD17B10 Q99714 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49

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
SCHEMBL560585 0.98 CDC25B (0.61) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL29856064 0.98 CDC25B (0.61) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL3680359 0.91 CDC25B (0.57) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL18261813 0.89 CDC25B (0.62) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL11056026 0.89 CDC25B (0.55) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL27553166 0.89 CDC25B (0.55) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL28400379 0.88 ALDH1A1 (0.62) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL10536669 0.87 CDC25B (0.56) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL12425991 0.85 CDC25B (0.55) CDC25BTSHRCDC25ACDC25CKDM4E
SCHEMBL3679659 0.85 TSHR (0.53) CDC25BTSHRCDC25ACDC25CKDM4E

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
EP-0350170-B2 Process for polymerising olefins and polymerisation catalyst therefor MITSUI CHEMICALS INC (JP) 2001-09-12 EP disclosed