SCHEMBL7603772

SCHEMBL7603772

CC1=CC(C)([Zr](Cc2ccccc2)(Cc2ccccc2)Oc2c(C)cccc2C)C=C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.36
SCN8A Q9UQD0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.32
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 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
SCHEMBL7598612 0.85
SCHEMBL7566819 0.75 TP53 (0.30)
SCHEMBL7883164 0.75 TP53 (0.30)
SCHEMBL7603268 0.74 MRGPRX4 (0.32)
SCHEMBL7887197 0.74 ELANE (0.32)
SCHEMBL5501864 0.66 CA4 (0.30)
SCHEMBL5495139 0.59 LMNA (0.30) SMN1; SMN2
SCHEMBL18716386 0.57 HTR1A (0.61) SCN4ASCN8ASMN1; SMN2KMT2AHTR1A
SCHEMBL7591889 0.57 SCN4A (0.47) SCN4ASMN1; SMN2KMT2AHTR1AADRA1D
SCHEMBL7590461 0.57 SCN4A (0.47) SCN4ASMN1; SMN2KMT2AHTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103315-A1 Catalyst composition for the polymerization of olefins PETERSON THOMAS H (US) 2002-08-01 US disclosed
EP-1115760-A1 MONOCYCLOPENTADIENYL METAL CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS Univation Technologies LLC (US) 2001-07-18 EP disclosed
WO-2000015676-A1 MONOCYCLOPENTADIENYL METAL CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS UNIVATION TECHNOLOGIES, LLC (US) 2000-03-23 WO disclosed