SCHEMBL28596187

SCHEMBL28596187

OCCC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
KIF11 P52732 14/20 0.41
KCNH2 Q12809 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL913229 0.82 KIF11 (0.54) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL28514674 0.76 ALDH1A1 (0.56) KIF11
SCHEMBL28515838 0.75 KIF11 (0.66) KIF11KCNH2
SCHEMBL5058831 0.75 KIF11 (0.66) KIF11KCNH2
SCHEMBL10776948 0.75 ESR1 (0.49) PTPN1KIF11CYP3A4
SCHEMBL17023194 0.73 SLC13A5 (0.53) KIF11SLC6A4
SCHEMBL11587470 0.72 PTPN1 (0.50) PTPN1KIF11KCNH2CYP3A4CYP2D6
SCHEMBL9181282 0.71 KIF11 (0.44) PTPN1KIF11KCNH2CYP3A4CYP2D6
SCHEMBL20483662 0.71 PTPN1 (0.39) PTPN1KCNH2CYP3A4CYP2D6SLC6A2
SCHEMBL3742459 0.71 CYP3A4 (0.42) PTPN1KIF11KCNH2CYP3A4CYP2D6

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-108292094-B Resist pattern forming method and resist material 国立大学法人大阪大学 2021-07-20 CN disclosed