SCHEMBL10041806

SCHEMBL10041806

CCCC(C)(CO)COC(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
ADRA1A P35348 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EGLN1 Q9GZT9 2/20 0.38
ACHE P22303 12/20 0.33
PLA2G2A P14555 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL578568 0.86 LMNA (0.44) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL578668 0.85 LMNA (0.68) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL10041800 0.82 LMNA (0.68) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL578604 0.76 LMNA (0.73) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5244425 0.76 SMN1; SMN2 (0.42) LMNAHSD17B10TSHRCYP3A4NFKB1
Carbamic Acid SCHEMBL585858 0.74 LMNA (0.40) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL13415141 0.74 TSHR (0.57) LMNAHSD17B10TSHRCYP3A4NFKB1
Carbamic Acid SCHEMBL578392 0.73 LMNA (0.39) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL8106200 0.73 LMNA (0.81) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL5245969 0.72 ACHE (0.59) ACHE

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-2418492-A1 Meprobamate immunoassay Randox Laboratories Ltd. (GB) 2012-02-15 EP disclosed