Hexane

Hexane

SCHEMBL23219247

CCCCCC.CCOC(=O)Cc1c(F)cccc1OCc1coc2ccc(Br)cc12

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.37
ALOX5 P09917 2/20 0.35
MTNR1A P48039 1/20 0.35
EGFR P00533 1/20 0.34
MAPT P10636 3/20 0.34
SLC26A3 P40879 2/20 0.34
MC4R P32245 1/20 0.34
THRB P10828 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGFR P43088 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
Hexane SCHEMBL31615131 1.00 PTGER1 (0.37) PTGER1ALOX5MTNR1AEGFRMAPT
SCHEMBL23218641 0.96 PTGER1 (0.39) PTGER1ALOX5MTNR1AEGFRMAPT
SCHEMBL29852755 0.87 THRB (0.40) PTGER1ALOX5MTNR1AMAPTSLC26A3
SCHEMBL23218028 0.87 THRB (0.40) PTGER1ALOX5MTNR1AMAPTSLC26A3
SCHEMBL29852971 0.86 KMT2A (0.40) PTGER1MAPTTHRBALDH1A1HTT
SCHEMBL23218215 0.86 KMT2A (0.40) PTGER1MAPTTHRBALDH1A1HTT
SCHEMBL29853198 0.83 ALOX5 (0.38) ALOX5MTNR1AMAPTTHRBALDH1A1
SCHEMBL23218199 0.83 ALOX5 (0.38) ALOX5MTNR1AMAPTTHRBALDH1A1
SCHEMBL23218949 0.82 TBXAS1 (0.41) PTGER1MTNR1AMAPTALDH1A1HTT
SCHEMBL23218535 0.82 PTGER1 (0.39) PTGER1ALOX5MTNR1AMAPTALDH1A1

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
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed