SCHEMBL28655495

SCHEMBL28655495

C=C(C)C(=O)OCCCCC(CC)CO[SiH3]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
THRB P10828 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 5/20 0.39
ATM Q13315 1/20 0.39
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CA2 P00918 1/20 0.35
RECQL P46063 1/20 0.33
LMNA P02545 3/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL7568671 0.88 TSHR (0.50) TSHRTHRBTDP1POLBAPEX1
SCHEMBL11528456 0.83 TSHR (0.62) TSHRTHRBTDP1POLBAPEX1
SCHEMBL27881106 0.83 TSHR (0.57) TSHRTHRBTDP1POLBAPEX1
SCHEMBL18953068 0.82 TSHR (0.59) TSHRTHRBTDP1POLBAPEX1
SCHEMBL651325 0.82 TSHR (0.75) TSHRTHRBTDP1POLBAPEX1
SCHEMBL10585558 0.81 TSHR (0.69) TSHRTHRBTDP1POLBAPEX1
SCHEMBL9115198 0.81 TSHR (0.69) TSHRTHRBTDP1POLBAPEX1
SCHEMBL8962376 0.81 TSHR (0.69) TSHRTHRBTDP1POLBAPEX1
SCHEMBL1275661 0.81 TSHR (0.69) TSHRTHRBTDP1POLBAPEX1
SCHEMBL890675 0.81 TSHR (0.69) TSHRTHRBTDP1POLBAPEX1

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-113710447-A Glass yarn cloth and glass fiber reinforced resin sheet 日东纺绩株式会社 2021-11-26 CN disclosed