SCHEMBL14200323

SCHEMBL14200323

COC(=O)c1cc(COc2ccc(B3OC(C)C(C)(C)O3)cc2)c(C)o1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
PTGER4 P35408 10/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL3535003 0.86 MAPT (0.56) MAPTKDM4EALDH1A1TSHRHPGD
SCHEMBL14568367 0.84 PTGER4 (0.56) MAPTKDM4EALDH1A1TSHRHPGD
SCHEMBL14539474 0.81 MAPT (0.51) MAPTKDM4EALDH1A1TSHRHPGD
SCHEMBL14199639 0.78 MAPT (0.67) MAPTKDM4EALDH1A1TSHRHPGD
SCHEMBL3534513 0.76 MAPT (0.64) MAPTKDM4EALDH1A1TSHRHPGD
SCHEMBL3537345 0.74 PTGER4 (0.79) MAPTKDM4EALDH1A1TSHRHPGD
SCHEMBL12992410 0.74 MAPT (0.61) MAPTKDM4EALDH1A1TSHRHPGD
SCHEMBL3536337 0.72 MAPT (0.59) MAPTKDM4EALDH1A1TSHRHPGD
SCHEMBL12991931 0.72 PTGER4 (0.42) MAPTKDM4EALDH1A1TSHRHPGD
SCHEMBL26467532 0.72 BACE1 (0.35) MAPTKDM4EALDH1A1TSHRHPGD

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
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed