SCHEMBL21294328

SCHEMBL21294328

C=CCCO[SiH](OC(C)=O)OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL5618107 0.79 TSHR (0.32) CYP3A4ALDH1A1
SCHEMBL5702348 0.74 ALDH1A1 (0.39) LMNAALDH1A1
Acrylic Acid SCHEMBL16416788 0.73 LMNA (0.37) LMNAMAPTALDH1A1CA2CA9
SCHEMBL7840081 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL506184 0.72
SCHEMBL673886 0.72 TSHR (0.33) ALDH1A1CA2CA9
SCHEMBL216031 0.71 ALDH1A1 (0.34) LMNAUSP2CYP3A4MAPTSMN1; SMN2
SCHEMBL10910783 0.71 TDP1 (0.42) LMNACYP3A4ALDH1A1HPGDL3MBTL1
SCHEMBL7640822 0.70 TSHR (0.38) ALDH1A1CA2CA9
SCHEMBL8436585 0.70 TSHR (0.43) ALDH1A1CA2CA9

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
US-20190263970-A1 ORGANOPOLYSILOXANE COMPOSITION KCC CORPORATION (KR) 2019-08-29 US disclosed