SCHEMBL28295006

SCHEMBL28295006

CCC(c1c(C)c(C)c(O)c(C)c1C)c1c(C)c(C)c(O)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 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
Propane SCHEMBL28234210 0.97 MEN1 (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL27754116 0.78 MEN1 (0.31) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4602228 0.78 ALDH1A1 (0.34) MEN1ALDH1A1MAPTKMT2A
SCHEMBL11355149 0.77
SCHEMBL11348041 0.77
SCHEMBL11353044 0.77
SCHEMBL31146654 0.69
Durohydroquinone SCHEMBL69786 0.69 ALOX5 (0.38) ALDH1A1ALOX5
SCHEMBL10584329 0.67 TSHR (0.43) MEN1ALDH1A1MAPTKMT2A
SCHEMBL9580817 0.67 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2A

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-109790274-A URETHANE RESIN USING POLYROTAXANE, AND POLISHING PAD 株式会社德山 2019-05-21 CN disclosed