SCHEMBL794416

SCHEMBL794416

CC(C)Oc1cc(C(=O)O)nc(C(=O)O)c1.[Tb]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.58
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.50
ALOX15 P16050 2/20 0.48
TSHR P16473 2/20 0.48
HIF1A Q16665 1/20 0.48
BCL2 P10415 3/20 0.44
MDM2 Q00987 3/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
KMO O15229 1/20 0.38
XDH P47989 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL743016 0.98 MCL1 (0.59) MCL1ALDH1A1KMT2AALOX15TSHR
SCHEMBL12923710 0.79 ALDH1A1 (0.52) MCL1ALDH1A1KMT2ABCL2MDM2
SCHEMBL794917 0.79 TDP1 (0.53) MCL1ALDH1A1ALOX15TSHRHIF1A
SCHEMBL794417 0.78 MCL1 (0.42) MCL1ALDH1A1KMT2ABCL2MDM2
SCHEMBL746177 0.77 TDP1 (0.55) MCL1ALDH1A1ALOX15TSHRHIF1A
SCHEMBL29660341 0.76 MCL1 (0.76) MCL1ALDH1A1KMT2ABCL2MDM2
SCHEMBL3915432 0.76 MCL1 (0.44) MCL1ALDH1A1KMT2AALOX15TSHR
SCHEMBL2908545 0.76 MCL1 (0.53) MCL1ALDH1A1KMT2AALOX15BCL2
SCHEMBL17060010 0.75 KMT2A (0.64) MCL1ALDH1A1KMT2AALOX15TSHR
SCHEMBL151012 0.75 KMT2A (0.64) ALDH1A1KMT2ARXRARXRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103108566-B Anti-fake cover box SICPA HOLDING S.A. (CH) 2015-11-25 CN disclosed
EP-2615938-A1 TAMPERPROOF CASE SICPA HOLDING SA (CH) 2013-07-24 EP disclosed
CN-103108566-A Anti-fake cover box SICPA HOLDING SA 2013-05-15 CN disclosed
WO-2012035145-A1 TAMPERPROOF CASE SICPA HOLDING SA (CH) 2012-03-22 WO disclosed