SCHEMBL28544200

SCHEMBL28544200

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)C([Ru])c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.31
EPHX1 P07099 2/20 0.31
CYP19A1 P11511 1/20 0.31
KDM4E B2RXH2 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
KCNA5 P22460 2/20 0.30
CYP2C19 P33261 2/20 0.30
KCNH2 Q12809 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL27514711 0.78 TSHR (0.54) IDO1GAAL3MBTL1LMNAEPHX1
SCHEMBL5185625 0.78 TSHR (0.54) IDO1GAAL3MBTL1LMNAEPHX1
SCHEMBL1517475 0.76 TSHR (0.52) IDO1GAAL3MBTL1LMNAEPHX1
SCHEMBL1507285 0.76 TSHR (0.52) IDO1GAAL3MBTL1LMNAEPHX1
SCHEMBL539282 0.73 POLB (0.35) IDO1GAAKDM4E
SCHEMBL3391334 0.73 POLB (0.35) IDO1GAAKDM4E
SCHEMBL27465208 0.73
SCHEMBL27637956 0.73 IDO1 (0.40) IDO1GAAL3MBTL1LMNAEPHX1
Chlorobenzene SCHEMBL27446491 0.71 TSHR (0.48) GAALMNAEPHX1KDM4ECYP1A2
SCHEMBL27768847 0.71 HSP90AA1 (0.38) GAAKDM4E

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-112543780-A Cyclic olefin ring-opening copolymer, method for producing same, rubber composition, and rubber crosslinked product 日本瑞翁株式会社 2021-03-23 CN disclosed