Hexane

Hexane

SCHEMBL23217870

CCCCCC.CCOC(=O)Cc1ccccc1OC(C(=O)OCC)c1cc(Br)c2occc2c1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
NR4A1 P22736 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TBXAS1 P24557 1/20 0.33
CFD P00746 5/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL29672991 0.96 HPGD (0.40) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL23217708 0.96 HPGD (0.40) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL30010940 0.86 TBXAS1 (0.38) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL23217611 0.86 TBXAS1 (0.38) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL30010562 0.84 TBXAS1 (0.33) HPGDKDM4EALDH1A1MAPTNR4A1
SCHEMBL23217814 0.83 CFD (0.36) HPGDKDM4EALDH1A1MAPTTBXAS1
SCHEMBL23217277 0.80 CFD (0.49) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL23217676 0.80 L3MBTL1 (0.35) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL21438395 0.76 CFD (0.52) TBXAS1CFDPKM
SCHEMBL30010728 0.76 CFD (0.52) TBXAS1CFDPKM

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-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed