SCHEMBL6912880

SCHEMBL6912880

C=[Zr](C1=Cc2ccccc2C1c1ccccc1)C1=Cc2ccccc2C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2B P41595 1/20 0.35
HDAC4 P56524 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
SCHEMBL6911088 0.73 DRD2 (0.37)
SCHEMBL29115214 0.72 ALDH1A1 (0.33) LMNATP53CYP1A2CYP3A4MAPT
SCHEMBL15661815 0.71 HDAC4 (0.38) LMNATP53CYP1A2CYP3A4MAPT
SCHEMBL6673270 0.71 GAA (0.35) LMNATP53CYP1A2CYP3A4MAPT
SCHEMBL29213168 0.71 LMNA (0.34) LMNATP53CYP1A2CYP3A4MAPT
SCHEMBL3205637 0.71 LMNA (0.34) LMNATP53CYP1A2CYP3A4MAPT
Chloromethane SCHEMBL6513380 0.70 DRD2 (0.36)
SCHEMBL6905400 0.70
SCHEMBL1387828 0.69 CFTR (0.38) LMNATP53CYP1A2CYP3A4MAPT
SCHEMBL7191962 0.69 LMNA (0.33) LMNATP53CYP1A2CYP3A4MAPT

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
US-6693156-B1 SIMPLY AND EFFICIENTLY SYNTHESIZED MATERIALS WITH VARIED SUBSTITUTION FOR TAILORED POLYMER PROPERTIES BASELL POLYOLEFINE GMBH (DE) 2004-02-17 US disclosed