SCHEMBL8733809

SCHEMBL8733809

O=C(CC1c2ccccc2-c2ccccc21)[Zr](Cl)Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38

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
SCHEMBL2108892 0.79 TSHR (0.49) TSHRHTR2AHDAC3HDAC4HDAC7
SCHEMBL1568272 0.76 TSHR (0.50) TSHRHTR2AHDAC3HDAC4HDAC7
SCHEMBL42370 0.76 EGFR (0.51) TSHRHTR2AHDAC3HDAC4HDAC7
SCHEMBL8279094 0.75 POLB (0.50) TSHRHTR2AHDAC3HDAC4HDAC7
SCHEMBL87863 0.75 HSD17B10 (0.59) TSHRHTR2AHDAC3HDAC4HDAC7
SCHEMBL87862 0.75 TSHR (0.49) TSHRHTR2AHDAC3HDAC4HDAC7
SCHEMBL8728938 0.74 TSHR (0.45) TSHRHTR2AHDAC3HDAC4HDAC7
SCHEMBL458347 0.74 TSHR (0.45) TSHRHTR2AHDAC3HDAC4HDAC7
SCHEMBL21758217 0.72 HTR2A (0.50) TSHRHTR2AMAPTHSD17B10CA1
SCHEMBL14880206 0.72 HDAC8 (0.53) TSHRHTR2AHDAC3HDAC4HDAC7

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-0839833-A2 Catalyst systems for the polymerization and copolymerization of alpha-olefins REPSOL QUIMICA S.A. (ES) 1998-05-06 EP disclosed