SCHEMBL8934757

SCHEMBL8934757

C=CCOC(CC(C)(C)C)C(O[SiH](c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
RHOA P61586 1/20 0.30
HDAC2 Q92769 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
SCHEMBL7866637 0.90 ALDH1A1 (0.35) MEN1KMT2AHTTMAPTCYP3A4
SCHEMBL7868288 0.75 MEN1 (0.33) MEN1KMT2A
SCHEMBL9735835 0.73 ADRB2 (0.32) TSHR
SCHEMBL8391276 0.69
SCHEMBL9432002 0.69 TSHR (0.36) MEN1KMT2AALDH1A1CYP2C19TSHR
SCHEMBL7616929 0.69 MMP8 (0.40) MEN1KMT2AALDH1A1TSHR
SCHEMBL7870039 0.69 KMT2A (0.37) KMT2AMAPTALDH1A1TSHR
SCHEMBL8629910 0.67 MME (0.32) MAPTALDH1A1KDM4EGAA
SCHEMBL9523641 0.67 PPARG (0.33) MAPTALDH1A1KDM4EGAA
SCHEMBL10577812 0.66 ABCB1 (0.31)

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
WO-1996030048-A1 PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1996-10-03 WO disclosed