SCHEMBL8293236

SCHEMBL8293236

O=C1COc2ccccc2S1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 1/20 0.38
DAO P14920 2/20 0.36
PKM P14618 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX5 P09917 1/20 0.33
ATM Q13315 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
SCHEMBL10641354 0.77 OXTR (0.45) OXTRMAOBMAOAHPGDKDM4E
SCHEMBL17933586 0.75 OXTR (0.39) OXTRMAOBMAOADAOKDM4E
SCHEMBL6068791 0.72 ATM (0.37) MAOBMAOAHPGDKDM4EALDH1A1
SCHEMBL6068686 0.72 OXTR (0.37) OXTRMAOBMAOADAOPKM
SCHEMBL868520 0.67 ABCG2 (0.52) OXTRMAOBMAOAPKMTSHR
SCHEMBL1498003 0.67 ALDH1A1 (0.59) MAOAHPGDKDM4EALDH1A1MAPT
SCHEMBL2112210 0.67 ALOX15 (0.46) PKMTSHRHPGDKDM4EALDH1A1
SCHEMBL20841685 0.67 ATM (0.38) ALDH1A1ATM
SCHEMBL8811707 0.67 MAOA (0.47) OXTRMAOBMAOAHPGDKDM4E
SCHEMBL6310183 0.67 DYRK1A (0.38) OXTRTSHRHPGDKDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605350-A Polymerizable compound, polymerizable composition containing same, and optically anisotropic body 江苏创拓新材料有限公司 2022-06-10 CN disclosed
CN-114560828-A Polymerizable compound and optically anisotropic body formed by same 江苏创拓新材料有限公司 2022-05-31 CN disclosed
CN-113861128-A Polymerizable compound and optically anisotropic body 江苏创拓新材料有限公司 2021-12-31 CN disclosed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO disclosed
CN-1203599-A Substitued pyrrolidinone, thiazolidinone or oxazolidinone as herbicides ZENECA LTD (GB) 1998-12-30 CN disclosed