SCHEMBL28895601

SCHEMBL28895601

OCCOCCOc1c(I)cc(I)cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
APP P05067 6/20 0.38
HTR1A P08908 1/20 0.36
USP2 O75604 2/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
TTR P02766 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL8813207 0.92 TTR (0.35) MAPK1APPTTRL3MBTL1
SCHEMBL15162110 0.87 TTR (0.40) MEN1KMT2AAPPCYP3A4ALDH1A1
SCHEMBL8813773 0.85 TTR (0.39) TTR
SCHEMBL13868964 0.78 KMT2A (0.46) MEN1KMT2AMAPK1TSHRAPP
SCHEMBL13882478 0.78 KMT2A (0.46) MEN1KMT2AMAPK1TSHRAPP
SCHEMBL8813218 0.76 TTR (0.36) ALDH1A1TTR
SCHEMBL19880724 0.74 HTR1A (0.39) KMT2AAPPHTR1ACYP3A4ALDH1A1
SCHEMBL26107410 0.74 TTR (0.35) TTR
SCHEMBL8655993 0.73 KMT2A (0.46) MEN1KMT2AMAPK1TSHRAPP
SCHEMBL22897396 0.73 L3MBTL1 (0.37) MEN1KMT2AMAPK1HTR1ALMNA

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-113348001-B Polymer and composition thereof 上海盛迪医药有限公司 2022-10-21 CN disclosed