SCHEMBL9015696

SCHEMBL9015696

CC(CC(C)(C)OOC(C)(C)CC(C)OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
ALOX5 P09917 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HMGCR P04035 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TNFRSF1A P19438 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 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
SCHEMBL9015644 0.96 LMNA (0.40) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015694 0.91 LMNA (0.39) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015840 0.84 LMNA (0.46) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015646 0.82 LMNA (0.40) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL25639251 0.81 KMT2A (0.48) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL29160406 0.80 CA2 (0.59) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015688 0.79 LMNA (0.34) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015729 0.79 GAA (0.49) LMNAHMGCRSMN1; SMN2NPSR1GAA
SCHEMBL9015594 0.78 LMNA (0.41) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9250419 0.76 CA12 (0.42) LMNACA2CA1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed