SCHEMBL8040487

SCHEMBL8040487

CC(C)(C)c1ccc(C2=Cc3ccccc3C2[Hf](Cl)(Cl)C2C(c3ccc(C(C)(C)C)cc3)=Cc3ccccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.33
PTAFR P25105 1/20 0.33
TSHR P16473 1/20 0.32
HSD11B1 P28845 1/20 0.32
KIF11 P52732 3/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
FFAR2 O15552 1/20 0.31
TNF P01375 1/20 0.31
NOD1 Q9Y239 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6285169 0.87 RXRA (0.31)
SCHEMBL6290535 0.83 CYP1A2 (0.33) ALDH1A1
SCHEMBL6285712 0.82 CFTR (0.33)
SCHEMBL7820957 0.80 HTR2C (0.31)
SCHEMBL8859962 0.79 PTAFR (0.35) HDAC6PTAFRTSHRHSD11B1KIF11
SCHEMBL8676698 0.78 TSHR (0.36) HDAC6PTAFRTSHRKIF11TNKS
SCHEMBL6285520 0.77 PTAFR (0.33) HDAC6PTAFRTSHRKIF11FFAR2
SCHEMBL1981936 0.77 PTAFR (0.33) HDAC6PTAFRTSHRKIF11FFAR2
SCHEMBL394693 0.77 PTAFR (0.33) HDAC6PTAFRTSHRKIF11FFAR2
Hydrochloric Acid SCHEMBL8859958 0.76 TSHR (0.34) HDAC6PTAFRTSHRKIF11TNF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143842-A CONTINUOUSLY TRANSFERRING POLYOLEFIN, RESIDUAL CATALYST AND UNREACTED MONOMER TO CONDITIONING ZONE OF KNOWN VOLUME AND HEATING; CONTROLLING TRANSFER/REMOVAL OF POLYOLEFIN FROM THE ZONE TO ENABLE MONOMER REMOVAL WITHOUT OVERHEATING POLYOLEFIN HUNTSMAN POLYMERS CORPORATION (US) 2000-11-07 US claimed
US-5594080-A POLYMERIZATION CATALYSIS OF METALLOCENES WITH CYCLOPENTADIENE AND METALS LELAND STANFORD, JR. UNIVERSITY (US) 1997-01-14 US claimed