SCHEMBL6544336

SCHEMBL6544336

CC(C)P(C(C)C)C1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
HTR2A P28223 2/20 0.37
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
ACHE P22303 2/20 0.34
SLC6A2 P23975 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SLC22A2 O15244 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
SCHEMBL6545167 0.80 MEN1 (0.33) GPR3POLBKMT2AMEN1ATM
SCHEMBL2546803 0.77 ACHE (0.39) GPR3POLBKMT2AMEN1ATM
SCHEMBL6544498 0.73 GPR3 (0.46) GPR3POLBKMT2AMEN1ATM
SCHEMBL3919889 0.73 GPR3 (0.46) GPR3POLBKMT2AMEN1ATM
SCHEMBL29130722 0.69 GPR3 (0.41) GPR3POLBKMT2AMEN1ATM
SCHEMBL6675583 0.69 GPR3 (0.46) GPR3POLBKMT2AMEN1ATM
SCHEMBL30360122 0.69 GPR3 (0.41) GPR3POLBKMT2AMEN1ATM
SCHEMBL2882645 0.69 GPR3 (0.41) GPR3POLBKMT2AMEN1ATM
SCHEMBL5573163 0.68 GPR3 (0.41) GPR3POLBKMT2AMEN1ATM
SCHEMBL2545663 0.68 GPR3 (0.41) GPR3POLBKMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373284-A1 CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION Bayer Aktiengesellschaft (DE) 2004-01-02 EP disclosed
US-6657027-B2 Compounds in which a transition metal is complexed with two ligand systems that systems are reversibly bonded together by a bridge ofa donor and an acceptor; at least one fluorinated aryl radical; olefin polymerization catalysts BAYER AKTIENGESELLSCHAFT (DE) 2003-12-02 US disclosed
US-20030036474-A1 Catalysts with a donor-acceptor interaction LANXESS DEUTSCHLAND GMBH (DE) 2003-02-20 US disclosed
WO-2002076999-A1 CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 WO disclosed