SCHEMBL8662776

SCHEMBL8662776

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
APP P05067 1/20 0.35
PAM P19021 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.35
RAD52 P43351 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
SCHEMBL8664460 0.86 ALDH1A1 (0.39) ALDH1A1AKR1B10AKR1B1TDP1GLA
SCHEMBL8661187 0.82 KDM4E (0.40) TDP1MEN1KMT2A
SCHEMBL4543866 0.79 MEN1 (0.39) ALDH1A1TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL28089546 0.78 HTR2A (0.38) ALDH1A1TDP1CYP3A4CYP2C9MAPK1
SCHEMBL8663585 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL27620966 0.77 RELA (0.40) ALDH1A1TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL1395549 0.76 RELA (0.44) TDP1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL28089554 0.74 NPC1 (0.41) TDP1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL20719893 0.73 AKR1B10 (0.71) ALDH1A1AKR1B10AKR1B1TDP1GLA
SCHEMBL20719894 0.73 AKR1B10 (0.71) ALDH1A1AKR1B10AKR1B1TDP1GLA

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