SCHEMBL7606630

SCHEMBL7606630

C1=CCC(C(c2ccccc2)(c2ccccc2)C2c3ccccc3-c3c2ccc2ccccc32)=C1.[Zr]

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
WDR5 P61964 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
SCHEMBL7604535 0.99 ALDH1A1 (0.32) KDM4EALDH1A1LMNAMAPK1WDR5
Hydrochloric Acid SCHEMBL7605151 0.96 KDM4E (0.30) KDM4EALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL7937828 0.89 KDM4E (0.33) KDM4EALDH1A1LMNAMAPK1
SCHEMBL5174322 0.85 MAPT (0.33)
SCHEMBL7608411 0.84 MEN1 (0.32) KDM4EALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL7195300 0.82 MAPT (0.31)
Hydrochloric Acid SCHEMBL7940430 0.81 MEN1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL7603013 0.81 MEN1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL7939984 0.80
Hydrochloric Acid SCHEMBL7939283 0.79

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-0672675-B1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2002-07-24 EP claimed