Propane

Propane

SCHEMBL7456907

CCC.CCCOCC(O)CO

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.69
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.45
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G2C Q5R387 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
CYP1A2 P05177 3/20 0.38
AGTR1 P30556 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
DGKA P23743 1/20 0.35

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
SCHEMBL14396790 0.97
SCHEMBL374763 0.97
SCHEMBL23615810 0.93 USP2 (0.67) USP2HSD17B10TDP1HTTLMNA
Ethylene Glycol SCHEMBL11071255 0.93 USP2 (0.67) USP2HSD17B10TDP1HTTLMNA
SCHEMBL27953890 0.93 USP2 (0.67) USP2HSD17B10TDP1HTTLMNA
Ether SCHEMBL6808285 0.91 USP2 (0.64) USP2HSD17B10TDP1HTTLMNA
Bicarbonate SCHEMBL29012514 0.89 USP2 (0.62) USP2HSD17B10TDP1HTTLMNA
Propane SCHEMBL5154976 0.87 USP2 (0.58) USP2HSD17B10TDP1HTTLMNA
SCHEMBL28034024 0.87 USP2 (0.60) USP2HSD17B10TDP1HTTLMNA
SCHEMBL115795 0.86 USP2 (0.84) USP2HSD17B10TDP1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444837-B1 VIRICIDES UNIVERSITY OF SOUTHERN CALIFORNIA 2002-09-03 US disclosed
US-6441214-B1 VIRICIDES UNIVERSITY OF SOUTHERN CALIFORNIA 2002-08-27 US disclosed
EP-1094821-A4 PREPARATION AND USE OF SULFUR-CONTAINING PHOSPHONOFORMATE DERIVATIVES AND ANALOGS UNIV SOUTHERN CALIFORNIA (US) 2002-04-10 EP disclosed
EP-1094821-A1 PREPARATION AND USE OF SULFUR-CONTAINING PHOSPHONOFORMATE DERIVATIVES AND ANALOGS THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2001-05-02 EP disclosed
WO-2000002566-A1 PREPARATION AND USE OF SULFUR-CONTAINING PHOSPHONOFORMATE DERIVATIVES AND ANALOGS THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-01-20 WO disclosed