SCHEMBL7919138

SCHEMBL7919138

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.37
CYP1A2 P05177 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PTPRC P08575 1/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
CES1 P23141 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 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
SCHEMBL7924645 0.88 POLB (0.40) POLBLMNACYP1A2ALDH1A1KMT2A
SCHEMBL7927360 0.87 POLB (0.42) POLBCYP1A2KMT2AMAPTACHE
SCHEMBL7927405 0.78 POLB (0.55) POLBLMNACYP1A2ALDH1A1KMT2A
SCHEMBL27864062 0.76 POLB (0.47) POLBLMNACYP1A2ALDH1A1KMT2A
SCHEMBL7928102 0.74 POLB (0.42) POLBLMNAALDH1A1KMT2AMAPT
SCHEMBL7919158 0.74 POLB (0.42) POLBCYP1A2KMT2AMAPTACHE
SCHEMBL7927256 0.74 RET (0.36) POLBLMNAALDH1A1KMT2AMAPT
SCHEMBL30781736 0.73 KMT2A (0.50) POLBCYP1A2ALDH1A1KMT2A
SCHEMBL29779340 0.73 KMT2A (0.50) POLBCYP1A2ALDH1A1KMT2A
SCHEMBL47693 0.73 KMT2A (0.50) POLBCYP1A2ALDH1A1KMT2A

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