SCHEMBL7624920

SCHEMBL7624920

CCCC[Zr](CCCC)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SOAT1 P35610 2/20 0.31
TSHR P16473 1/20 0.31
DRD2 P14416 1/20 0.30
HTR7 P34969 1/20 0.30
NR1H3 Q13133 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
SCHEMBL7209110 0.81 PDCD1 (0.35) PDCD1CD274HTR7
SCHEMBL5709182 0.79 PDCD1 (0.34) PDCD1CD274HTR7
SCHEMBL28807858 0.78 BCHE (0.36) BCHEACHEPDCD1CD274KDM4E
SCHEMBL3163967 0.77 BRD4 (0.33) PDCD1CD274HTR7
SCHEMBL7930455 0.77 BRD4 (0.33) PDCD1CD274HTR7
SCHEMBL7202513 0.77 PDCD1 (0.33) PDCD1CD274
SCHEMBL6687090 0.76 PDCD1 (0.35) PDCD1CD274
Hydrochloric Acid SCHEMBL8168468 0.76 BRD4 (0.33) PDCD1CD274HTR7
SCHEMBL8678769 0.76 BRD4 (0.33) PDCD1CD274HTR7
SCHEMBL19460558 0.76 BCHE (0.31) BCHEACHEPDCD1CD274

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-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 EP disclosed