SCHEMBL8747409

SCHEMBL8747409

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
KCNN4 O15554 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 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
SCHEMBL7426749 0.83 CYP2C19 (0.47) CYP2C19HIF1AKCNN4ALDH1A1ALOX15
SCHEMBL29288247 0.77 KCNN4 (0.41) CYP2C19HIF1AKCNN4HDAC3HDAC4
SCHEMBL27347462 0.77 KCNN4 (0.41) CYP2C19HIF1AKCNN4ALDH1A1HDAC3
SCHEMBL9091729 0.77 KCNN4 (0.44) CYP2C19HIF1AKCNN4HDAC3HDAC4
SCHEMBL28249504 0.75 CYP2C19 (0.43) CYP2C19HIF1AKCNN4ALDH1A1ALOX15
SCHEMBL3462264 0.75 MAPT (0.52) CYP2C19HIF1AKCNN4ALDH1A1ALOX15
Toluene SCHEMBL29105779 0.75 MTNR1A (0.41) CYP2C19HIF1AALDH1A1KMT2AMGAM
SCHEMBL11433450 0.73 CYP2C19 (0.37) CYP2C19HIF1AKCNN4ALDH1A1MAPT
SCHEMBL9456532 0.73 KCNN4 (0.41) CYP2C19HIF1AKCNN4ALDH1A1MAPT
SCHEMBL3880018 0.73 ALDH1A1 (0.52) CYP2C19HIF1AKCNN4ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641305-B1 THERMOSETTING COATING COMPOSITIONS EASTMAN CHEM CO (US) 1997-01-15 EP disclosed
EP-0641305-A1 THERMOSETTING COATING COMPOSITIONS. EASTMAN CHEM CO (US) 1995-03-08 EP disclosed
US-5359125-A Using 2,2'-bisacetoacetate as crosslinking agent EASTMAN CHEMICAL COMPANY (US) 1994-10-25 US disclosed
US-5247122-A 2,2'-bisacetoacetates useful as crosslinking agents EASTMAN KODAK COMPANY (US) 1993-09-21 US disclosed
WO-1992021646-A1 THERMOSETTING COATING COMPOSITIONS EASTMAN KODAK COMPANY (US) 1992-12-10 WO disclosed