SCHEMBL4733951

SCHEMBL4733951

COC(=O)CCC(O)(C(=O)OC)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 4/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TET2 Q6N021 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PTPRB P23467 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL28256465 0.79 TSHR (0.55) TSHRKMT2AMEN1LMNACA12
SCHEMBL16209873 0.79 TSHR (0.55) TSHRKMT2AMEN1LMNACA12
SCHEMBL27688950 0.78 TSHR (0.48) TSHRKMT2AMEN1LMNACA12
SCHEMBL27994582 0.78 TSHR (0.60) TSHRKMT2AMEN1LMNACA12
SCHEMBL759137 0.77 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL8629503 0.76 LMNA (0.36) TSHRLMNAKDM4EALDH1A1MAPT
SCHEMBL19616629 0.76 TSHR (0.57) TSHRKMT2AMEN1LMNACA12
SCHEMBL2118005 0.76 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL9666722 0.76 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL27834061 0.76 TSHR (0.50) TSHRKMT2AMEN1LMNACA12

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-2008061363-A1 BIOMOLECULE COMPATIBLE SILICA PARTICLES MCMASTER UNIVERSITY (CA) 2008-05-29 WO disclosed