SCHEMBL7106483

SCHEMBL7106483

Cc1ccc(C(NC(=O)OC(C)(C)C)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
CTSK P43235 3/20 0.51
CTSS P25774 1/20 0.51
HSD17B2 P37059 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
MAPT P10636 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
TSHR P16473 2/20 0.45
SLC6A9 P48067 1/20 0.45
S1PR3 Q99500 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14820895 0.92 CTSK (0.57) LMNACTSKCTSSMEN1KMT2A
SCHEMBL7473130 0.88 CTSK (0.51) LMNACTSKCTSSHSD17B2GABRB1
SCHEMBL5788596 0.87 CNR1 (0.52) LMNACTSKCTSSGABRB1GABRB2
SCHEMBL14808757 0.83 CTSK (0.47) LMNACTSKCTSSMEN1KMT2A
SCHEMBL15783776 0.81 CTSK (0.48) CTSKCTSSMEN1KMT2AGABRB1
SCHEMBL14240829 0.81 CTSK (0.48) CTSKCTSSMEN1KMT2AGABRB1
SCHEMBL15783777 0.81 CTSK (0.48) CTSKCTSSMEN1KMT2AGABRB1
SCHEMBL10530547 0.81 CTSK (0.51) LMNACTSKCTSSMEN1KMT2A
SCHEMBL13567835 0.81 CTSK (0.53) CTSKCTSSMEN1KMT2AGABRB1
SCHEMBL16763340 0.80 GABRB1 (0.47) LMNACTSKCTSSGABRB1GABRB2

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
WO-2004001055-A2 PNA PRODRUGS SANTARIS PHARMA A/S (DK) 2003-12-31 WO disclosed