Butane

Butane

SCHEMBL6403113

CCCC.O=S(=O)(O)c1cccs1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
LMNA P02545 2/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 8/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PKM P14618 2/20 0.44
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 2/20 0.41
LOX P28300 1/20 0.41

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
Ethane SCHEMBL27563851 0.90 F2 (0.50) CYP2D6CYP2C9CYP2C19F2PRSS1
SCHEMBL195296 0.89
Hydrochloric Acid SCHEMBL5443286 0.87 F2 (0.52) CYP2D6CYP2C9CYP2C19F2PRSS1
Benzene SCHEMBL11320361 0.87 F2 (0.52) CYP2D6CYP2C9CYP2C19F2PRSS1
Ammonia Solution, Strong SCHEMBL27939330 0.87 F2 (0.52) CYP2D6CYP2C9CYP2C19F2PRSS1
SCHEMBL27541982 0.87 F2 (0.52) CYP2D6CYP2C9CYP2C19F2PRSS1
Fluoride SCHEMBL27537666 0.87 F2 (0.52) CYP2D6CYP2C9CYP2C19F2PRSS1
SCHEMBL5078549 0.87 F2 (0.52) CYP2D6CYP2C9CYP2C19F2PRSS1
SCHEMBL2515172 0.87 F2 (0.52) CYP2D6CYP2C9CYP2C19F2PRSS1
SCHEMBL28139386 0.85 ALDH1A1 (0.49) CYP2D6CYP2C9CYP2C19F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951985-B1 Insulator; multilayer coating; light pipe LEMELSON JEROME H 2005-10-04 US disclosed
US-5866195-A Methods for forming diamond-coated superconductor wire LEMELSON JEROME H (US) 1999-02-02 US disclosed