Butane

Butane

SCHEMBL9547559

CC1=CC(=O)CC(C)(C)C1.CCCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MAPT P10636 5/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
APEX1 P27695 1/20 0.40
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL22522 0.91 ALDH1A1 (0.52) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL7102666 0.91 ALDH1A1 (0.52) LMNAMAPTALDH1A1HPGDKMT2A
Undecane SCHEMBL8674618 0.90 MAPT (0.59) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL11132973 0.89 ALDH1A1 (0.50) LMNAMAPTALDH1A1HPGDKMT2A
Ammonia Solution, Strong SCHEMBL1984334 0.89 ALDH1A1 (0.50) LMNAMAPTALDH1A1HPGDKMT2A
Water SCHEMBL9637163 0.89 ALDH1A1 (0.50) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL271129 0.89 ALDH1A1 (0.50) LMNAMAPTALDH1A1HPGDKMT2A
Water SCHEMBL28863261 0.89 ALDH1A1 (0.50) LMNAMAPTALDH1A1HPGDKMT2A
Ammonia Solution, Strong SCHEMBL7735826 0.89 ALDH1A1 (0.50) LMNAMAPTALDH1A1HPGDKMT2A
Ammonia Solution, Strong SCHEMBL10613596 0.89 ALDH1A1 (0.50) LMNAMAPTALDH1A1HPGDKMT2A

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-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed