SCHEMBL8747472

SCHEMBL8747472

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
GAA P10253 2/20 0.32
DGAT1 O75907 1/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
APLNR P35414 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL19428159 0.90 CA1 (0.37) KMT2ACA1CA2CA7GAA
SCHEMBL28173071 0.84 CTSS (0.33) KMT2ALMNACA1CA2CA7
SCHEMBL24834160 0.83 ALDH1A1 (0.36) KMT2ALMNACA1CA2CA7
SCHEMBL25787719 0.81 TDP1 (0.38) KMT2ALMNACA1CA2CA7
SCHEMBL30684680 0.79 ALDH1A1 (0.33) KMT2AGAANOS1NOS3NOS2
SCHEMBL20077533 0.79 ALDH1A1 (0.33) KMT2AGAANOS1NOS3NOS2
SCHEMBL27799610 0.79 CTSS (0.31)
SCHEMBL19428158 0.79 TSHR (0.31)
SCHEMBL11650972 0.78 KMT2A (0.38) KMT2ALMNACA1CA2CA7
SCHEMBL17995475 0.78 FOLH1 (0.37) KMT2ALMNAGAAMEN1AAK1

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 6 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-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
WO-1992021646-A1 THERMOSETTING COATING COMPOSITIONS EASTMAN KODAK COMPANY (US) 1992-12-10 WO disclosed