SCHEMBL7928310

SCHEMBL7928310

C[O-].C[O-].O=C(O[Ti+2]OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.60
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CES1 P23141 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL7927239 0.78 KCNN4 (0.62) KCNN4KMT2AMAPTNPSR1CES1
SCHEMBL7927266 0.77 KCNN4 (0.60) KCNN4KMT2AMAPTNPSR1CES1
Triphenylacetic Acid Methyl Ester SCHEMBL7258414 0.75 KCNN4 (1.00) KCNN4KMT2AMAPTNPSR1CES1
SCHEMBL7587514 0.74 KCNN4 (0.68) KCNN4KMT2AMAPTNPSR1CES1
SCHEMBL7924832 0.73 KCNN4 (0.43) KCNN4
SCHEMBL4194518 0.73 KCNN4 (0.65) KCNN4KMT2AMAPTNPSR1CES1
SCHEMBL491371 0.72 KCNN4 (0.64) KCNN4KMT2AMAPTNPSR1CES1
SCHEMBL4642200 0.72 KCNN4 (0.64) KCNN4KMT2AMAPTNPSR1CES1
Hydrogen Peroxide SCHEMBL27880626 0.72 KCNN4 (0.64) KCNN4KMT2AMAPTNPSR1CES1
SCHEMBL705717 0.71 KCNN4 (0.63) KCNN4KMT2AMAPTNPSR1CES1

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