SCHEMBL9764226

SCHEMBL9764226

CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(C4CCCCC4)c(O)c(C(C)(C)C)c3)c(=O)n(Cc3cc(C4CCCCC4)c(O)c(C(C)(C)C)c3)c2=O)cc(C2CCCCC2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
KDM4E B2RXH2 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 6/20 0.46
MAPT P10636 5/20 0.43
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 5/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
BLM P54132 2/20 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
SCHEMBL10567861 0.99 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10565578 0.99 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL9763392 0.96 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL9763791 0.96 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10563569 0.94 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10565869 0.94 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10565112 0.94 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10567135 0.94 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10566571 0.92 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10566157 0.92 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAMAPT

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-0246190-B1 DERIVATIVES OF ISOCYANURIC ACID CIBA-GEIGY AG (CH) 1991-12-04 EP claimed
US-4863982-A HEAT, LIGHT AND OXIDATION STABILIZERS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed