SCHEMBL7204963

SCHEMBL7204963

C1=C2CCC3=Cc4ccccc4C3[Zr]3(C2c2ccccc21)C1C(=Cc2ccccc21)CCC1=Cc2ccccc2C13

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL61248 0.84 KDM1A (0.36) KDM1ACYP11B1CYP11B2CYP19A1
SCHEMBL2074643 0.84 KDM1A (0.40) KDM1A
Hydrochloric Acid SCHEMBL9099409 0.82 KDM1A (0.35) KDM1ACYP11B1CYP11B2
SCHEMBL616008 0.81 KDM1A (0.34) KDM1A
SCHEMBL6355473 0.80 CYP11B1 (0.35) KDM1ACYP11B1CYP11B2
SCHEMBL6362637 0.78 KDM1A (0.33) KDM1A
SCHEMBL795335 0.78 CYP11B1 (0.35) KDM1ACYP11B1CYP11B2
SCHEMBL1949050 0.77 DRD2 (0.32) KDM1ACYP11B1CYP11B2
SCHEMBL4453972 0.77 DRD2 (0.35) KDM1ACYP11B1CYP11B2
SCHEMBL5493953 0.77 KDM1A (0.32) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP disclosed
US-6465384-B1 BISCYCLOPENTADIENYL GROUP 4 TRANSITION METAL COMPLEXES POSSESSING DIENE LIGANDS AND TO USE AS POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2002-10-15 US disclosed
EP-0775148-B1 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 1999-08-25 EP disclosed
EP-0915098-A2 Biscyclopentadienyl diene complexes, their preparation and catalyst compositions containing them THE DOW CHEMICAL COMPANY (US) 1999-05-12 EP disclosed
EP-0775148-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-28 EP disclosed
WO-1996004290-A1 BISCYCLOPENTADIENYL DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-02-15 WO disclosed