SCHEMBL14568367

SCHEMBL14568367

COC(=O)c1cc(COc2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)c(C)o1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.56
MAPT P10636 4/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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 0.97 MAPT (0.56) PTGER4MAPTKDM4EALDH1A1LMNA
SCHEMBL14200323 0.84 MAPT (0.52) PTGER4MAPTKDM4EALDH1A1LMNA
SCHEMBL14539474 0.83 MAPT (0.51) PTGER4MAPTKDM4EALDH1A1LMNA
SCHEMBL3537345 0.82 PTGER4 (0.79) PTGER4MAPTKDM4EALDH1A1LMNA
SCHEMBL12991931 0.80 PTGER4 (0.42) PTGER4MAPTKDM4EALDH1A1LMNA
SCHEMBL14199639 0.79 MAPT (0.67) PTGER4MAPTKDM4EALDH1A1LMNA
SCHEMBL3538298 0.79 HPGD (0.41) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL14568307 0.78 HIF1A (0.41) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL3534674 0.78 PTGER4 (0.79) PTGER4MAPTKDM4EALDH1A1LMNA
SCHEMBL3534513 0.77 MAPT (0.64) PTGER4MAPTKDM4EALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed