SCHEMBL3683965

SCHEMBL3683965

CC[C](Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 5/20 0.37
TSHR P16473 5/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
BLM P54132 2/20 0.34
ATM Q13315 2/20 0.34
HIF1A Q16665 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL19921966 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL2949730 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL465622 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL30712631 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL314423 0.74 HIF1A (0.43) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL3683968 0.74 HMGCR (0.41) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL3085940 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL14399902 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL28091753 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTGAATSHR
SCHEMBL2949729 0.71 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076699-A1 BIOCIDE MICROCAPSULE FORMULATIONS CONTAINING STABILISED IODINE-CONTAINING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2012-06-14 WO disclosed
EP-2462805-A1 Formulations containing stabilised compounds containing iodine LANXESS Deutschland GmbH (DE) 2012-06-13 EP disclosed
EP-2206739-A2 Polymer stabilizer Sumitomo Chemical Company, Limited (JP) 2010-07-14 EP disclosed