SCHEMBL16360807

SCHEMBL16360807

CC(=O)OC1C(C)OC(COC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC(C)=O)C1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
USP2 O75604 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
PTPN1 P18031 2/20 0.45
F11 P03951 2/20 0.44
LMNA P02545 2/20 0.43
ELANE P08246 1/20 0.43
CA2 P00918 2/20 0.42
MAPK1 P28482 2/20 0.42
TMPRSS2 O15393 1/20 0.42
PDE5A O76074 1/20 0.42
CA1 P00915 1/20 0.42
HMGCR P04035 1/20 0.42
CYP1A2 P05177 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
HSPD1 P10809 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL18654232 0.91 PTPN1 (0.51) TSHRUSP2KMT2AMEN1POLB
SCHEMBL18654290 0.91 PTPN1 (0.51) TSHRUSP2KMT2AMEN1POLB
SCHEMBL17850331 0.88 TSHR (0.53) TSHRUSP2KMT2AMEN1POLB
SCHEMBL17850309 0.88 TSHR (0.53) TSHRUSP2KMT2AMEN1POLB
SCHEMBL13871578 0.86 TSHR (0.55) TSHRUSP2KMT2AMEN1POLB
SCHEMBL14199414 0.86 POLB (0.53) TSHRUSP2KMT2AMEN1POLB
SCHEMBL17850340 0.85 TSHR (0.55) TSHRUSP2KMT2AMEN1POLB
SCHEMBL13447782 0.85 TSHR (0.55) TSHRUSP2KMT2AMEN1POLB
SCHEMBL17850321 0.85 TSHR (0.55) TSHRUSP2KMT2AMEN1POLB
SCHEMBL17552001 0.85 TSHR (0.48) TSHRUSP2KMT2AMEN1POLB

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-2011127180-A1 COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF CD274/PD-L1 GENE ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed