SCHEMBL4453972

SCHEMBL4453972

CCO[Zr]1(OCC)C2C(=Cc3ccccc32)CCC2=Cc3ccccc3C21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.35
DRD4 P21917 5/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM1A O60341 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SIGMAR1 Q99720 2/20 0.30

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
SCHEMBL6355473 0.80 CYP11B1 (0.35) CYP11B1CYP11B2KDM1AKDM4EL3MBTL1
SCHEMBL61248 0.78 KDM1A (0.36) DRD2DRD4CYP11B1CYP11B2KDM1A
SCHEMBL5493953 0.77 KDM1A (0.32) KDM1A
SCHEMBL7204963 0.77 KDM1A (0.38) CYP11B1CYP11B2KDM1A
Hydrochloric Acid SCHEMBL9099409 0.76 KDM1A (0.35) DRD2DRD4CYP11B1CYP11B2KDM1A
SCHEMBL795335 0.75 CYP11B1 (0.35) CYP11B1CYP11B2KDM1A
SCHEMBL616008 0.75 KDM1A (0.34) KDM1A
SCHEMBL2074643 0.74 KDM1A (0.40) KDM1A
SCHEMBL5087122 0.73 SLC6A2 (0.35)
SCHEMBL5081365 0.73 HTR1A (0.32)

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
US-7531605-B2 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU KOSAN CO., LTD. (JP) 2009-05-12 US disclosed
EP-1375538-B1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU KOSAN CO (JP) 2008-01-09 EP disclosed
US-20040106738-A1 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1375538-A1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-01-02 EP disclosed