SCHEMBL7592867

SCHEMBL7592867

COc1cccc(/C=C/C=C/c2ccccc2)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.70
NFE2L2 Q16236 4/20 0.65
CYP19A1 P11511 1/20 0.64
CYP1A1 P04798 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP1B1 Q16678 3/20 0.60
BCHE P06276 1/20 0.59
NQO2 P16083 1/20 0.59
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57
TUBA3E Q6PEY2 1/20 0.57
TUBA1A Q71U36 1/20 0.57
TUBA1C Q9BQE3 1/20 0.57

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
SCHEMBL7592868 1.00 RELA (0.70) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL14401251 0.92 RELA (0.81) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL700797 0.92 RELA (0.81) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL700798 0.92 RELA (0.81) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL17553039 0.87 RELA (0.59) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL15932972 0.87 RELA (0.62) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL28722190 0.86 KDM4E (0.68) CYP19A1CYP1A1CYP1A2CYP1B1NQO2
SCHEMBL17400865 0.86 CYP19A1 (0.87) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL17367874 0.86 RELA (0.67) RELANFE2L2CYP19A1CYP1A1CYP1A2
SCHEMBL23158820 0.86 RELA (0.84) RELANFE2L2CYP19A1CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796267-B1 IMPROVED PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES DOW CHEMICAL CO (US) 1998-12-02 EP claimed
CN-114195610-B Synthesis method of E-type internal olefin compound 海南大学 2023-07-14 CN disclosed
CN-114195610-A Synthetic method of E-type internal olefin compound 海南大学 2022-03-18 CN disclosed
EP-1124834-B1 PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES DOW CHEMICAL CO (US) 2002-11-06 EP disclosed
EP-1124834-A1 PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-08-22 EP disclosed
US-6090962-A Preparation of titanium(II) or zirconium(II) complexes THE DOW CHEMICAL COMPANY (US) 2000-07-18 US disclosed
WO-2000026221-A1 PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-05-11 WO disclosed
EP-0796267-B1 IMPROVED PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES DOW CHEMICAL CO (US) 1998-12-02 EP disclosed
EP-0796267-A1 IMPROVED PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-09-24 EP disclosed
WO-1996017857-A1 IMPROVED PREPARATION OF TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES THE DOW CHEMICAL COMPANY (US) 1996-06-13 WO disclosed
US-5512693-A Preparation of titanium (II) or zirconium (II) complexes THE DOW CHEMICAL COMPANY (US) 1996-04-30 US disclosed