SCHEMBL28298366

SCHEMBL28298366

[CH2]CC1OC1CCCCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
SPHK1 Q9NYA1 7/20 0.36
SPHK2 Q9NRA0 6/20 0.36
EPHX1 P07099 1/20 0.35
POLB P06746 1/20 0.35
FASN P49327 1/20 0.35
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
DAGLA Q9Y4D2 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
SCHEMBL27968046 0.98 ALDH1A1 (0.41) ALDH1A1SPHK1SPHK2EPHX1POLB
SCHEMBL10800832 0.93
SCHEMBL51206 0.87 ALDH1A1 (0.46) ALDH1A1SPHK1SPHK2EPHX1POLB
SCHEMBL27967799 0.86 ALDH1A1 (0.38) ALDH1A1SPHK1SPHK2EPHX1POLB
SCHEMBL11809342 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1POLB
SCHEMBL11689950 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1POLB
SCHEMBL8855829 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1POLB
SCHEMBL8855730 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1POLB
SCHEMBL11688324 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1POLB
SCHEMBL7110587 0.85 ALDH1A1 (0.50) ALDH1A1SPHK1SPHK2EPHX1POLB

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
CN-107116869-B Multilayer structure making, pneumatic tire inner liner and pneumatic tire 株式会社普利司通 2019-04-30 CN disclosed