SCHEMBL7927405

SCHEMBL7927405

CC(=O)O[Ti](OC(C)=O)(OC(C)=O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.37
HIF1A Q16665 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GPR3 P46089 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL7930323 0.87 POLB (0.56) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7927434 0.83 POLB (0.45) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7927360 0.81 POLB (0.42) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7928102 0.81 POLB (0.42) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7924996 0.79 F2 (0.44) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7919138 0.78 POLB (0.40) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7928600 0.77 POLB (0.39) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7924577 0.77 POLB (0.39) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7919309 0.75 KCNN4 (0.46) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7928418 0.74 NPC1 (0.40) POLBKMT2AGAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed