SCHEMBL4907769

SCHEMBL4907769

CCCCCCCCCC1CCCOC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
CYP1A2 P05177 4/20 0.47
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR7 Q9NYK1 1/20 0.40
PKM P14618 1/20 0.40
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
LSS P48449 2/20 0.36
SIGMAR1 Q99720 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
SPHK2 Q9NRA0 2/20 0.35
SPHK1 Q9NYA1 2/20 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
SCHEMBL4905120 1.00 EPHX1 (0.47) EPHX1CYP1A2ALDH1A1MEN1HTT
SCHEMBL2927220 1.00 EPHX1 (0.47) EPHX1CYP1A2ALDH1A1MEN1HTT
SCHEMBL4906446 1.00 EPHX1 (0.47) EPHX1CYP1A2ALDH1A1MEN1HTT
SCHEMBL4906247 1.00 EPHX1 (0.47) EPHX1CYP1A2ALDH1A1MEN1HTT
SCHEMBL4910497 0.98 CYP1A2 (0.48) EPHX1CYP1A2ALDH1A1MEN1HTT
SCHEMBL17308764 0.92 CYP1A2 (0.56) EPHX1CYP1A2ALDH1A1MEN1HTT
SCHEMBL14864952 0.92 CYP1A2 (0.56) EPHX1CYP1A2ALDH1A1MEN1HTT
SCHEMBL3987478 0.88 CYP1A2 (0.50) EPHX1CYP1A2ALDH1A1MEN1HTT
SCHEMBL14040310 0.88 CYP1A2 (0.50) EPHX1CYP1A2ALDH1A1MEN1HTT
SCHEMBL11691182 0.86 CYP1A2 (0.59) EPHX1CYP1A2ALDH1A1MEN1HTT

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
US-8440608-B2 Beta-substituted tetrandropyrana (on) s and method for the synthesis and the use thereof V. MANE FILS (FR) 2013-05-14 US disclosed
US-20080032914-A1 Beta-Substituted Tetrahdropyrana (On) S And Method For The Synthesis And The Use Thereof V. MANE FILS (FR) 2008-02-07 US disclosed