SCHEMBL7698292

SCHEMBL7698292

C=C(C)C(=O)OC(C)c1c2ccccc2cc2ccccc12.C=C(C)C(=O)OCCc1c2ccccc2cc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.37
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
ATM Q13315 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
EDNRA P25101 1/20 0.33
TSHR P16473 3/20 0.33
EPHX1 P07099 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
HTR2A P28223 1/20 0.31

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
SCHEMBL5594535 0.88 RAD52 (0.45) RAD52THRBL3MBTL1TDP1ATM
SCHEMBL5594212 0.87 ALDH1A1 (0.39) L3MBTL1TDP1ATMKDM4EALDH1A1
SCHEMBL28989675 0.79 TSHR (0.45) RAD52THRBL3MBTL1TDP1KDM4E
SCHEMBL28989837 0.78 TSHR (0.48) RAD52THRBTDP1KDM4EALDH1A1
SCHEMBL15751387 0.78 TSHR (0.48) RAD52THRBTDP1KDM4EALDH1A1
SCHEMBL8065282 0.77 THRB (0.46) RAD52THRBL3MBTL1TDP1KDM4E
SCHEMBL12383183 0.76 ALDH1A1 (0.41) L3MBTL1TDP1ATMKDM4EALDH1A1
SCHEMBL13801028 0.76 TDP1 (0.36) THRBL3MBTL1TDP1ATMKDM4E
SCHEMBL18906414 0.75 EDNRA (0.40) L3MBTL1TDP1ATMKDM4EALDH1A1
SCHEMBL13801030 0.75 TDP1 (0.40) THRBL3MBTL1TDP1ATMKDM4E

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-6344654-B1 AN ETHYLENICALLY UNSATURATED MONOMER IS COPOLYMERIZED WITH A POLYNUCLEAR AROMATIC HYDROCARBON OR A SUBSTITUTED AROMATIC DERIVATIVE THEREOF, SUCH THAT THE RESULTANT POLYMER IS FLUORESCENT. ROHM AND HAAS COMPANY 2002-02-05 US claimed