SCHEMBL8097638

SCHEMBL8097638

CC=C(C=Cc1ccccc1)C(=O)OCCCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 3/20 0.51
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
APP P05067 2/20 0.49
BCHE P06276 5/20 0.48
EGFR P00533 1/20 0.48
HDAC3 O15379 1/20 0.48
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
ACHE P22303 3/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.45

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
Methacrylic Acid SCHEMBL27295497 0.92 KDM4E (0.47) KDM4ETDP1TSHRL3MBTL1APP
Acrylamide SCHEMBL28241128 0.91 KDM4E (0.47) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL11320326 0.89 KDM4E (0.51) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL27282408 0.89 KDM4E (0.51) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL11162643 0.88 APP (0.52) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL8846901 0.87 KDM4E (0.52) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL1234803 0.85 KDM4E (0.54) KDM4ETDP1TSHRL3MBTL1APP
Butyl Cinnamate SCHEMBL119511 0.85 APP (0.65) TDP1APPAKR1B10AKR1B1LMNA
Butyl Cinnamate SCHEMBL119510 0.85 APP (0.65) TDP1APPAKR1B10AKR1B1LMNA
Butyl Cinnamate SCHEMBL5314386 0.85 APP (0.65) TDP1APPAKR1B10AKR1B1LMNA

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-6030765-A PRODUCING A DISPERSION OF DISCRETE ORGANIC HYDROPHOBIC POLYMER PARTICLES AND AN ORGANIC REDUCING AGENT, FORMING AN AQUEOUS DISPERSION OF LIGHT SENSITIVE ORGANIC SILVER SALT, BINDER AND HYDROPHOBIC POLYMER, COATING THE DISPERSION ON A SUPPORT AGFA-GEVAERT (BE) 2000-02-29 US disclosed