SCHEMBL8747488

SCHEMBL8747488

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CYP2C19 P33261 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36

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
SCHEMBL28837744 0.83 DPP4 (0.41) L3MBTL1ATMKMT2AALDH1A1CYP3A4
SCHEMBL13158249 0.80 L3MBTL1 (0.50) L3MBTL1ATMKMT2AALDH1A1CYP3A4
SCHEMBL27814580 0.79 SMN1; SMN2 (0.59) KMT2AALDH1A1TP53SMN1; SMN2MAPT
SCHEMBL17965782 0.78 SRC (0.50) L3MBTL1ATMKMT2AALDH1A1AAK1
SCHEMBL7043298 0.78 L3MBTL1 (0.55) L3MBTL1ATMKMT2AALDH1A1CYP3A4
SCHEMBL18206839 0.78 ALDH1A1 (0.58) L3MBTL1ATMKMT2AALDH1A1CYP3A4
SCHEMBL18206841 0.78 ALDH1A1 (0.58) L3MBTL1ATMKMT2AALDH1A1CYP3A4
SCHEMBL27970498 0.77 ATM (0.44) L3MBTL1ATMKMT2AALDH1A1CYP3A4
SCHEMBL27365551 0.77 KMT2A (0.47) L3MBTL1ATMKMT2AALDH1A1CYP3A4
SCHEMBL8593879 0.77 LMNA (0.52) L3MBTL1ATMKMT2AALDH1A1SMN1; SMN2

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-0641305-B1 THERMOSETTING COATING COMPOSITIONS EASTMAN CHEM CO (US) 1997-01-15 EP disclosed
US-5359125-A Using 2,2'-bisacetoacetate as crosslinking agent EASTMAN CHEMICAL COMPANY (US) 1994-10-25 US disclosed
US-5254637-A Curable enamel with 2,2*-bisacetoacetate crosslinking agents EASTMAN KODAK COMPANY (US) 1993-10-19 US disclosed
US-5247122-A 2,2'-bisacetoacetates useful as crosslinking agents EASTMAN KODAK COMPANY (US) 1993-09-21 US disclosed