SCHEMBL9250419

SCHEMBL9250419

CC(CC(C)(C)OOC(C)(C)C)OC(=O)c1ccc(C(=O)OC(C)CC(C)(C)OOC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL9246551 0.88 RAB9A (0.41) CA12CA1CA2CA7CA9
SCHEMBL8528746 0.82 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9015644 0.82 LMNA (0.40) CA12CA1CA2CA7CA9
SCHEMBL9107821 0.80 TSHR (0.57) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL7753387 0.79 TSHR (0.32) TSHRTDP1
SCHEMBL362758 0.79 TSHR (0.32) TSHRTDP1
SCHEMBL8462329 0.78 TSHR (0.31) TSHRTDP1
SCHEMBL9243652 0.77 ALDH1A1 (0.39) CA1CA2CA9MEN1KMT2A
SCHEMBL9149217 0.77 ALDH1A1 (0.39) CA1CA2CA9MEN1KMT2A
SCHEMBL11422594 0.76 LMNA (0.48) MEN1KMT2AALDH1A1TSHRHSD17B10

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-0423639-B1 Peroxide masterbatches using polycaprolactone as the carrier ATOCHEM NORTH AMERICA (US) 1995-09-20 EP claimed
US-5238978-A Homogeneous dispersion; safe storage and handling ELF ATOCHEM NORTH AMERICA INC. (US) 1993-08-24 US claimed
EP-0423639-B1 Peroxide masterbatches using polycaprolactone as the carrier ATOCHEM NORTH AMERICA (US) 1995-09-20 EP disclosed
US-5238978-A Homogeneous dispersion; safe storage and handling ELF ATOCHEM NORTH AMERICA INC. (US) 1993-08-24 US disclosed