SCHEMBL8545778

SCHEMBL8545778

CC(C)(C)OC(=O)C1=CC[CH]C=C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL29080196 0.84 TP53 (0.34) TP53MAPTALOX15HSD17B10NFKB1
SCHEMBL13947269 0.83 TP53 (0.36) TP53MAPTALOX15HSD17B10NFKB1
SCHEMBL13947265 0.74 TP53 (0.35) TP53MAPTALOX15HSD17B10NFKB1
SCHEMBL11229915 0.74 NFKB1 (0.39) TP53MAPTALOX15HSD17B10NFKB1
SCHEMBL5114658 0.74 CA12 (0.43) MAPTALOX15HSD17B10CA12CA1
SCHEMBL6669399 0.73 NFKB1 (0.39) NFKB1NFKB2RELACA12CA1
SCHEMBL15359079 0.71 TP53 (0.33) TP53MAPTALOX15HSD17B10NFKB1
SCHEMBL6205702 0.71 TP53 (0.36) TP53MAPTALOX15HSD17B10NFKB1
SCHEMBL27664807 0.71 CA12 (0.33) TP53MAPTALOX15HSD17B10NFKB1
SCHEMBL15268614 0.71 TP53 (0.33) TP53MAPTALOX15HSD17B10NFKB1

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
EP-0801650-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1998-05-06 EP disclosed
EP-0801650-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-22 EP disclosed