SCHEMBL794417

SCHEMBL794417

CC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.CC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.CC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.[Tb+3].[Tb+3]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.40
GLA P06280 1/20 0.40
PARP10 Q53GL7 1/20 0.39
POLB P06746 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
ABL1 P00519 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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 0.80 MCL1 (0.59) MCL1ALDH1A1KMT2APARP10POLB
SCHEMBL794918 0.80 CA1 (0.44) ALDH1A1KMT2APOLBRXRALMNA
SCHEMBL794416 0.78 MCL1 (0.58) MCL1ALDH1A1KMT2APARP10POLB
SCHEMBL9803990 0.73 LMNA (0.43) ALDH1A1KMT2AGLAPOLBF2
Chelidamic Acid SCHEMBL794360 0.70 CA1 (0.36) KMT2A
SCHEMBL8370932 0.68 ALDH1A1 (0.44) ALDH1A1KMT2AGLAPARP10POLB
Zinc Ion SCHEMBL30274317 0.68 ALOX15 (0.37) MCL1LMNA
SCHEMBL12923710 0.67 ALDH1A1 (0.52) MCL1ALDH1A1KMT2ARXRARXRB
SCHEMBL15984884 0.66 MAPK1 (0.44) MCL1ALDH1A1KMT2APOLBLMNA
SCHEMBL4276004 0.66 KMT2A (0.41) MCL1ALDH1A1KMT2APARP10POLB

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-2615938-A1 TAMPERPROOF CASE SICPA HOLDING SA (CH) 2013-07-24 EP disclosed
WO-2012035145-A1 TAMPERPROOF CASE SICPA HOLDING SA (CH) 2012-03-22 WO disclosed