SCHEMBL7597401

SCHEMBL7597401

COC(c1ccccc1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
POLB P06746 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 2/20 0.39
TSHR P16473 1/20 0.39
GPR3 P46089 1/20 0.36
IDO1 P14902 4/20 0.36
KDM4E B2RXH2 1/20 0.33
MAP2K7 O14733 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL27817277 0.75 GPR3 (0.41) POLBKMT2AMEN1ATMCYP1A2
SCHEMBL10455242 0.74 MEN1 (0.53) POLBKMT2AMEN1ATMCYP1A2
SCHEMBL3825829 0.74 POLB (0.40) POLBKMT2AMEN1ATMCYP1A2
SCHEMBL8569420 0.73 EPHX1 (0.38) EPHX1KMT2AMEN1TSHRALDH1A1
SCHEMBL3157929 0.73 MEN1 (0.52) POLBKMT2AMEN1ATMCYP1A2
SCHEMBL28223897 0.72 EPHX1 (0.40) EPHX1IDO1CYP2D6SMN1; SMN2
SCHEMBL28089718 0.71 POLB (0.50) POLBKMT2AMEN1ATMCYP1A2
SCHEMBL19144912 0.69 IDO1 (0.64) EPHX1IDO1
SCHEMBL12259452 0.69 CYP1A2 (0.46) EPHX1POLBKMT2AMEN1ATM
Hydrochloric Acid SCHEMBL8677554 0.69 MEN1 (0.44) POLBKMT2AMEN1ATMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1260523-B1 CATALYST SYSTEM FOR POLYMERIZATION AND COPOLYMERIZATION OF OLEFINS CHINA PETROCHEMICAL CORP (CN) 2013-01-23 EP disclosed
EP-1260523-A1 CATALYST SYSTEM FOR POLYMERIZATION AND COPOLYMERIZATION OF OLEFINS CHINA PETROCHEMICAL CORPORATION (CN) 2002-11-27 EP disclosed