SCHEMBL7927360

SCHEMBL7927360

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CYP1A2 P05177 4/20 0.38
TSHR P16473 3/20 0.36
CYP2C19 P33261 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ELANE P08246 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 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
SCHEMBL7919138 0.87 POLB (0.40) POLBCYP1A2TSHRCYP2C19HDAC3
SCHEMBL7919158 0.87 POLB (0.42) POLBCYP1A2TSHRCYP2C19HDAC3
SCHEMBL7927405 0.81 POLB (0.55) POLBCYP1A2TSHRHDAC3HDAC4
SCHEMBL7928102 0.77 POLB (0.42) POLBHDAC3HDAC4HDAC7HDAC8
SCHEMBL7927434 0.75 POLB (0.45) POLBCYP1A2TSHRHDAC3HDAC4
SCHEMBL7924996 0.75 F2 (0.44) POLBTSHRHDAC3HDAC4HDAC7
SCHEMBL7924645 0.74 POLB (0.40) POLBCYP1A2TSHRCYP2C19HDAC3
SCHEMBL3754584 0.74 POLB (0.50) POLBCYP1A2TSHRCYP2C19HDAC3
SCHEMBL7928600 0.73 POLB (0.39) POLBCYP1A2TSHRHDAC3HDAC4
SCHEMBL7924577 0.73 POLB (0.39) POLBCYP1A2TSHRHDAC3HDAC4

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