Ethylene

Ethylene

SCHEMBL6916211

C=C.COc1ccc2c(c1)C=CC2[Zr+2]C1C=Cc2cc(OC)ccc21.[Cl-].[Cl-]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Ethylene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.32
BRD4 O60885 3/20 0.44
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL7545965 0.97 BRD4 (0.47) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL6910528 0.79 BRD4 (0.36) BRD4
Ethylene SCHEMBL4330150 0.77 BRD4 (0.41) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL10592962 0.75 BRD4 (0.44) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9440349 0.75 BRD4 (0.44) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL9778190 0.74 BRD4 (0.41) BRD4HDAC3HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1685523 0.74 ACHE (0.31) CYP1A2CYP2A6ACHE
Hydrochloric Acid SCHEMBL16144796 0.73 BRD4 (0.43) BRD4HDAC3HDAC1HDAC7HDAC2
SCHEMBL28344074 0.73 BRD4 (0.45) BRD4HDAC3HDAC1HDAC7HDAC2
SCHEMBL9074416 0.71 HDAC3 (0.48) BRD4HDAC3HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927201-B1 CATALYST SYSTEM FOR (CO)POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PREPARATION OF OLEFIN (CO)POLYMERS USING THE CATALYST SYSTEM HYUNDAI PETROCHEMICAL CO LTD (KR) 2004-04-14 EP disclosed
EP-0530908-B2 Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM NV (NL) 2003-06-04 EP disclosed
EP-0530908-B1 Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM NV (NL) 1999-04-21 EP disclosed
US-5646083-A Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM N.V. (NL) 1997-07-08 US disclosed
EP-0530908-A1 Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins DSM N.V. (NL) 1993-03-10 EP disclosed