SCHEMBL9763791

SCHEMBL9763791

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 5/20 0.48
MAPT P10636 4/20 0.45
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 5/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38
ATM Q13315 2/20 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
SCHEMBL9763392 1.00 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10567861 0.97 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10565578 0.97 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL9764226 0.96 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10565705 0.93 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL9763402 0.93 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL9763458 0.93 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10566157 0.93 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10567135 0.90 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1GAAMAPT
SCHEMBL10566571 0.90 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 3 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 claimed
US-4863982-A HEAT, LIGHT AND OXIDATION STABILIZERS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed