SCHEMBL7050394

SCHEMBL7050394

CC1=Cc2ccccc2C1[Zr]1(C2C(C)=Cc3ccccc32)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
LMNA P02545 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
Hydrochloric Acid SCHEMBL7082516 0.98 HTR2C (0.32) HTR2C
SCHEMBL814928 0.93 HTR2C (0.32) HTR2CCYP11B1CYP11B2
SCHEMBL9390177 0.91 HTR2C (0.31) HTR2CCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL2590368 0.91 HTR2C (0.33) HTR2CCYP11B1CYP11B2
Chloromethane SCHEMBL3679117 0.89 HTR2C (0.30) HTR2CCYP11B1CYP11B2
SCHEMBL8857182 0.85 DRD2 (0.33) LMNA
SCHEMBL5185801 0.79 ALDH1A1 (0.33) LMNA
SCHEMBL6433970 0.75 ALDH1A1 (0.36)
SCHEMBL7049009 0.74 CHRNB2 (0.33)
Hydrochloric Acid SCHEMBL7129750 0.73 CHRNB2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058694-B1 Catalyst system, method for its production and its use for the polymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2003-04-09 EP claimed