SCHEMBL28093026

SCHEMBL28093026

ClCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.56
TSHR P16473 3/20 0.42
HRH4 Q9H3N8 1/20 0.39
MAPK1 P28482 1/20 0.37
DUT P33316 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KCNN4 O15554 2/20 0.36
CYP1A2 P05177 2/20 0.34
ALOX15 P16050 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TK2 O00142 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SLC6A1 P30531 1/20 0.33
TK1 P04183 1/20 0.33

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
Phosphine SCHEMBL8595812 0.98 KIF11 (0.54) KIF11TSHRHRH4MAPK1DUT
SCHEMBL3573169 0.81 KIF11 (0.63) KIF11TSHRHRH4MAPK1DUT
SCHEMBL11275984 0.79 KIF11 (0.74) KIF11TSHRHRH4MAPK1DUT
SCHEMBL5282316 0.78 KIF11 (0.59) KIF11TSHRHRH4DUTALOX15
SCHEMBL4544073 0.76 KIF11 (0.52) KIF11TSHRHRH4MAPK1DUT
SCHEMBL6241174 0.75 KIF11 (0.56) KIF11TSHRHRH4MAPK1DUT
SCHEMBL5735020 0.75 KIF11 (0.56) KIF11TSHRHRH4MAPK1DUT
SCHEMBL13092422 0.75 KIF11 (0.68) KIF11TSHRHRH4MAPK1DUT
SCHEMBL9865376 0.75 KIF11 (0.56) KIF11TSHRHRH4MAPK1DUT
SCHEMBL2350021 0.75 KIF11 (0.56) KIF11MAPK1DUTALDH1A1KCNN4

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-104662084-B Fluoro-rubber composite NOK株式会社 2016-10-05 CN disclosed