Butane

Butane

SCHEMBL27520586

CCCC.CCCCPc1ccccc1

nearest known ligand 0.43

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
PCSK9 Q8NBP7 1/20 0.36
PTGS2 P35354 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
DNM1 Q05193 1/20 0.33
HPGD P15428 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
SCHEMBL367263 0.98 LTA4H (0.38) LTA4HPCSK9PTGS2CES2CES1
Hydrochloric Acid SCHEMBL11572407 0.95 LTA4H (0.36) LTA4HPCSK9PTGS2CES2CES1
Hydrochloric Acid SCHEMBL11572419 0.95 LTA4H (0.36) LTA4HPCSK9PTGS2CES2CES1
SCHEMBL27678592 0.95 LTA4H (0.36) LTA4HPCSK9PTGS2CES2CES1
Hydrochloric Acid SCHEMBL9619305 0.95 LTA4H (0.36) LTA4HPCSK9PTGS2CES2CES1
Bromide SCHEMBL25216737 0.95 LTA4H (0.36) LTA4HPCSK9PTGS2CES2CES1
SCHEMBL3445934 0.91 LTA4H (0.38) LTA4HPCSK9PTGS2CES2CES1
SCHEMBL3411655 0.90 LTA4H (0.33) LTA4HPCSK9PTGS2CES2CES1
SCHEMBL5389878 0.89 DNM1 (0.40) LTA4HPTGS2CES2CES1SMN1; SMN2
SCHEMBL5394695 0.89 DNM1 (0.40) LTA4HPTGS2CES2CES1SMN1; SMN2

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-1281427-A Process for the preparation of pentenoic acid anhydrides DSM NV (NL) 2001-01-24 CN disclosed