SCHEMBL8664460

SCHEMBL8664460

CCC(=O)OCCOC(C)OC=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 2/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL8661187 0.88 KDM4E (0.40) KDM4EPPARAMEN1KMT2ABCHE
SCHEMBL8662776 0.86 ALDH1A1 (0.40) ALDH1A1AKR1B10AKR1B1CTDSP1MEN1
SCHEMBL4543866 0.80 MEN1 (0.39) ALDH1A1KDM4ECTDSP1MEN1KMT2A
SCHEMBL27620966 0.77 RELA (0.40) ALDH1A1KDM4EMEN1KMT2ABCHE
SCHEMBL1395549 0.77 RELA (0.44) KDM4EPPARAPPARDMEN1KMT2A
SCHEMBL28089546 0.76 HTR2A (0.38) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL8663585 0.76 ALDH1A1 (0.38) ALDH1A1NPC1HTTLMNACYP3A4
SCHEMBL28089554 0.72 NPC1 (0.41) KDM4EMEN1KMT2ATDP1HPGD
SCHEMBL1397184 0.72 NPC1 (0.46) ALDH1A1CTDSP1MEN1KMT2ATDP1
SCHEMBL11817417 0.72 NPC1 (0.46) ALDH1A1CTDSP1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852128-A Acid-labile group protected hydroxystyrene polymers or copolymers thereof and their application to radiation sensitive materials CLARIANT AG (CH) 1998-12-22 US disclosed