SCHEMBL4652033

SCHEMBL4652033

CC(C)C1=Cc2ccccc2C1C(C)C1C(C(C)C)=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
CDC25A P30304 1/20 0.32
CDC25B P30305 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
SCHEMBL574074 0.88 HTR2A (0.33) HTR2ACDC25ACDC25B
Ethylene SCHEMBL10454667 0.82 HTR2A (0.31) HTR2ACDC25ACDC25B
SCHEMBL6266174 0.81 HTR2A (0.34) HTR2A
SCHEMBL5160641 0.79 CDC25A (0.32) CDC25ACDC25B
SCHEMBL27757732 0.79 CDC25A (0.32) CDC25ACDC25B
SCHEMBL27948792 0.79 CDC25A (0.30) CDC25ACDC25B
Hydrochloric Acid SCHEMBL28755264 0.78 CDC25A (0.32) CDC25ACDC25B
SCHEMBL28056580 0.78 CDC25A (0.32) CDC25ACDC25B
SCHEMBL28313051 0.77
SCHEMBL7202455 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed