SCHEMBL8846901

SCHEMBL8846901

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
APP P05067 2/20 0.45
BCHE P06276 5/20 0.45
EGFR P00533 1/20 0.44
HDAC3 O15379 1/20 0.44
ACHE P22303 3/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6471821 0.93 KDM4E (0.53) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL8097638 0.87 KDM4E (0.53) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL3221254 0.86 KDM4E (0.57) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL1234803 0.86 KDM4E (0.54) KDM4ETDP1TSHRL3MBTL1APP
Butadiene SCHEMBL8384528 0.85 KDM4E (0.47) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL10777528 0.85 KDM4E (0.53) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL11320326 0.84 KDM4E (0.51) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL27282408 0.84 KDM4E (0.51) KDM4ETDP1TSHRL3MBTL1APP
SCHEMBL6434617 0.84 KDM4E (0.53) KDM4ETDP1TSHRL3MBTL1APP
Acrylamide SCHEMBL28241128 0.84 KDM4E (0.47) KDM4ETDP1TSHRL3MBTL1APP

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-0510572-B1 Aqueous polyurethane-vinyl polymer dispersions for coating applications AIR PROD & CHEM (US) 1997-06-11 EP disclosed
US-5173526-A Solvent resistance, wear resistance, flexibility AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-12-22 US disclosed
EP-0510572-A2 Aqueous polyurethane-vinyl polymer dispersions for coating applications AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-10-28 EP disclosed