SCHEMBL8644079

SCHEMBL8644079

CC(C)(C)O[C@@H](C(NC(=O)O)C(=O)c1ccc(O)cc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPA1 O75762 5/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
PDPK1 O15530 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ELANE P08246 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.33
ESRRB O95718 1/20 0.33
CA3 P07451 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
SCHEMBL27402000 0.79 TRPA1 (0.48) LMNAHSD17B10TRPA1CA12CA1
SCHEMBL8378255 0.79 TRPA1 (0.48) LMNAHSD17B10TRPA1CA12CA1
SCHEMBL8645873 0.74 NPSR1 (0.44) LMNACA1CA2ESR2MEN1
SCHEMBL8379723 0.73 GRN (0.45) LMNAHSD17B10CA12CA1CA2
SCHEMBL8646849 0.73 LMNA (0.39) LMNAHSD17B10TRPA1CA12CA1
SCHEMBL8645782 0.71 LMNA (0.45) LMNAHSD17B10CA12CA1CA2
SCHEMBL8383097 0.69 CA12 (0.45) LMNAHSD17B10CA12CA1CA2
SCHEMBL9835782 0.69 CA12 (0.45) LMNAHSD17B10CA12CA1CA2
SCHEMBL8379546 0.67 PREP (0.36) LMNATRPA1CA12CA1CA9
SCHEMBL1673397 0.67 ESR1 (0.44) CA12CA1CA2CA7CA9

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
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed