SCHEMBL28077402

SCHEMBL28077402

CC(C)(C)OC(=O)C(C)(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL27663394 0.92 KCNN4 (0.46) KCNN4CYP2C19HIF1AKMT2AMAPT
SCHEMBL491371 0.83 KCNN4 (0.64) KCNN4CYP2C19HIF1AKMT2AMAPT
Hydrogen Peroxide SCHEMBL27880626 0.83 KCNN4 (0.64) KCNN4CYP2C19HIF1AKMT2AMAPT
Hydrogen Sulfide SCHEMBL27788757 0.82 KCNN4 (0.62) KCNN4CYP2C19HIF1AKMT2AMAPT
SCHEMBL28121349 0.82 CYP2C19 (0.47) KCNN4CYP2C19HIF1AKMT2AMAPT
SCHEMBL6288292 0.82 KCNN4 (0.47) KCNN4CYP2C19HIF1AKMT2AMAPT
Water SCHEMBL27886592 0.82 KCNN4 (0.62) KCNN4CYP2C19HIF1AKMT2AMAPT
SCHEMBL16732028 0.81 KCNN4 (0.67) KCNN4CYP2C19HIF1AKMT2AMAPT
SCHEMBL3353839 0.80 CYP1A2 (0.47) KCNN4CYP2C19HIF1AKMT2AMAPT
SCHEMBL3991706 0.80 MAPT (0.41) CYP2C19HIF1AKMT2AMAPTALDH1A1

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
CN-106608940-A Preparation method for catalyst components used for olefin polymerization 中国石油化工股份有限公司 2017-05-03 CN claimed
CN-106608940-A Preparation method for catalyst components used for olefin polymerization 中国石油化工股份有限公司 2017-05-03 CN disclosed
CN-105837714-A METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER 东邦钛株式会社 2016-08-10 CN disclosed