2-(Hexadecyl)Tetrahydrofuran

2-(Hexadecyl)Tetrahydrofuran

SCHEMBL3663252

C#C.CCCCCCCCCCCCCCCCC1CCCO1

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.74
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 3/20 0.43
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
RAD52 P43351 1/20 0.37
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 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
SCHEMBL4626384 0.96 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL5515259 0.96 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL409221 0.96 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL18825665 0.96 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL538474 0.96 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL20440346 0.96 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL13423666 0.96 EPHX1 (0.80) EPHX1ALDH1A1CYP1A2TDP1TP53
SCHEMBL1602429 0.94 EPHX1 (0.76) EPHX1ALDH1A1CYP1A2TDP1TP53
Methoxymethane SCHEMBL28363997 0.91 EPHX1 (0.71) EPHX1ALDH1A1CYP1A2TDP1TP53
Methoxymethane SCHEMBL28364135 0.91 EPHX1 (0.71) EPHX1ALDH1A1CYP1A2TDP1TP53

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
EP-1305322-B1 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF DPHARM LTD (IL) 2010-01-13 EP claimed