SCHEMBL7625939

SCHEMBL7625939

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

nearest known ligand 0.33

Predicted protein targets (top 7)

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

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
SCHEMBL8203380 0.81 PDCD1 (0.35) PDCD1CD274
SCHEMBL28807858 0.78 BCHE (0.36) BCHEACHEPDCD1CD274KDM4E
SCHEMBL4060093 0.77 PDCD1 (0.33) PDCD1CD274
SCHEMBL6565700 0.77 PDCD1 (0.33) PDCD1CD274
SCHEMBL27489709 0.76 SOAT1 (0.37) BCHEACHESOAT1
SCHEMBL797327 0.75 BCHE (0.35) BCHEACHEPDCD1CD274KDM4E
SCHEMBL8204575 0.75 PDCD1 (0.32) PDCD1CD274
SCHEMBL7625956 0.75 BCHE (0.34) BCHEACHEKDM4ESOAT1
Hydrochloric Acid SCHEMBL7639321 0.74 PDCD1 (0.31) PDCD1CD274
SCHEMBL7624920 0.74 BCHE (0.33) BCHEACHEPDCD1CD274KDM4E

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