SCHEMBL15899482

SCHEMBL15899482

COC(C)(c1ccccc1)C(C)(C)OC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.44
KCNN4 O15554 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
CYP1A2 P05177 2/20 0.38

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
SCHEMBL15899390 0.81 CYP2C19 (0.44) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL15899264 0.80 CYP2C19 (0.43) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL15899292 0.78 ALDH1A1 (0.42) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL3844071 0.77 MAPK1 (0.52) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL15899354 0.77 CYP2C19 (0.41) KCNN4CYP2C19HIF1AMAPTKMT2A
SCHEMBL15899324 0.76 TSHR (0.41) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL11244960 0.76 CYP2C19 (0.54) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL15899478 0.75 CYP2C19 (0.39) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL2341249 0.75 CES1 (0.48) CES1KCNN4CYP2C19HIF1AMAPT
SCHEMBL28557443 0.74 ALDH1A1 (0.46) CES1KCNN4CYP2C19HIF1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759552-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFIN, CATALYST FOR POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER TOHO TITANIUM CO LTD (JP) 2016-02-10 EP disclosed
US-9243081-B2 Solid catalyst component for polymerization of olefin, catalyst for polymerization of olefin, and method for producing olefin polymer TOHO TITANIUM CO., LTD. (JP) 2016-01-26 US disclosed
US-20140343237-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFIN, CATALYST FOR POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER TOHO TITANIUM CO., LTD. (JP) 2014-11-20 US disclosed
EP-2759552-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFIN, CATALYST FOR POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER Toho Titanium CO., LTD. (JP) 2014-07-30 EP disclosed