Butane

Butane

SCHEMBL3980730

CCCC.O=[N+]([O-])c1ccccc1P(=O)(O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
CTSD P07339 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
GPR35 Q9HC97 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL914901 0.91 ALDH1A1 (0.48) HSD17B10CTSDALDH1A1KMT2ATDP1
SCHEMBL31688378 0.91 ALDH1A1 (0.48) HSD17B10CTSDALDH1A1KMT2ATDP1
SCHEMBL18486613 0.83 HSD17B10 (0.42) HSD17B10CTSDALDH1A1KMT2ATDP1
SCHEMBL18486615 0.83 HSD17B10 (0.42) HSD17B10CTSDALDH1A1KMT2ATDP1
Butane SCHEMBL27519037 0.79 HSD17B10 (0.60) HSD17B10CTSDALDH1A1KMT2ATDP1
SCHEMBL31688384 0.79 ALDH1A1 (0.51) HSD17B10CTSDALDH1A1KMT2ATDP1
SCHEMBL917444 0.79 ALDH1A1 (0.51) HSD17B10CTSDALDH1A1KMT2ATDP1
SCHEMBL18486609 0.79 POLB (0.39) HSD17B10CTSDALDH1A1KMT2ATP53
SCHEMBL18486605 0.79 POLB (0.39) HSD17B10CTSDALDH1A1KMT2ATP53
SCHEMBL16146801 0.77 TDP1 (0.62) HSD17B10ALDH1A1KMT2ATDP1GPR35

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
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO disclosed