SCHEMBL5721249

SCHEMBL5721249

Cc1ccccc1-c1c(-c2ccccc2)ccc2c1C=C(C(C)C)C2[Zr](Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5608762 0.91
SCHEMBL5721648 0.89
SCHEMBL5721632 0.88 CA12 (0.32)
SCHEMBL5721856 0.88
SCHEMBL5721133 0.87
SCHEMBL5721462 0.85 PDCD1 (0.30)
SCHEMBL5721888 0.85 NPC1 (0.33) NPC1ALDH1A1HPGDTSHRRAB9A
SCHEMBL5721515 0.85
SCHEMBL5086293 0.83 BRD4 (0.31)
SCHEMBL5721346 0.83

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-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed