SCHEMBL13412969

SCHEMBL13412969

CC(=O)OC1[C@H](OC(C)C)OC(COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ PTPN1 P18031 3/20 0.49
▸ USP2 O75604 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ TMPRSS2 O15393 1/20 0.45
▸ PDE5A O76074 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ HMGCR P04035 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ HSPD1 P10809 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL13412971 0.96 PTPN1 (0.53) TSHRPTPN1USP2KMT2AMEN1
SCHEMBL13413063 0.96 PTPN1 (0.53) TSHRPTPN1USP2KMT2AMEN1
SCHEMBL14263475 0.89 PTPN1 (0.58) TSHRPTPN1USP2KMT2AMEN1
SCHEMBL22022507 0.89 PTPN1 (0.58) TSHRPTPN1USP2KMT2AMEN1
SCHEMBL8829597 0.89 PTPN1 (0.58) TSHRPTPN1USP2KMT2AMEN1
SCHEMBL12352422 0.89 PTPN1 (0.58) TSHRPTPN1USP2KMT2AMEN1
SCHEMBL5981982 0.89 PTPN1 (0.61) TSHRPTPN1USP2KMT2AMEN1
SCHEMBL5981979 0.89 PTPN1 (0.61) TSHRPTPN1USP2KMT2AMEN1
SCHEMBL13871572 0.89 PTPN1 (0.58) TSHRPTPN1USP2KMT2AMEN1
SCHEMBL4849838 0.89 PTPN1 (0.58) TSHRPTPN1USP2KMT2AMEN1

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-7674778-B2 Oligonucleotides comprising a conjugate group linked through a C5-modified pyrimidine ALNYLAM PHARMACEUTICALS (US) 2010-03-09 — — US disclosed
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