Isobutane

Isobutane

SCHEMBL28118090

CC(C)C.CCCN(C)C

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.45
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MAPT P10636 1/20 0.37
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33

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
SCHEMBL1723 0.89
SCHEMBL19206133 0.89
Isopropyl Alcohol SCHEMBL7678630 0.87 DNM1 (0.41) DNM1CA12CA2CA9ALDH1A1
SCHEMBL19253314 0.85
SCHEMBL11621000 0.85
Arsenic SCHEMBL5237643 0.85
Hydrochloric Acid SCHEMBL3697304 0.85
Ammonia Solution, Strong SCHEMBL15322639 0.85
Iodide SCHEMBL6387501 0.85
Bromide SCHEMBL2584826 0.85

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
CN-106176461-A A kind of whitening beautifying liquid containing jasmin quintessence oil 钟治超 2016-12-07 CN disclosed