SCHEMBL9015840

SCHEMBL9015840

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
RECQL P46063 1/20 0.46
ALOX5 P09917 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
VCAM1 P19320 2/20 0.41
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HMGCR P04035 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL25639251 0.85 KMT2A (0.48) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015696 0.84 LMNA (0.43) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL29160406 0.83 CA2 (0.59) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015594 0.81 LMNA (0.41) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015644 0.80 LMNA (0.40) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015646 0.80 LMNA (0.40) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015694 0.78 LMNA (0.39) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015753 0.77 LMNA (0.38) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL25639294 0.77 KMT2A (0.42) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL17266983 0.77 GAA (0.52) LMNAVCAM1HMGCRSMN1; SMN2NPSR1

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
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
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed
US-5013777-A Benzosulfonic acids as end groups of engineering thermoplastic resins; fireproofing; oxidation and UV resistances; photostabilizers ATOCHEM NORTH AMERICA, INC. (US) 1991-05-07 US disclosed
EP-0332761-A2 Single-functional and mixtures of multifunctional oligomeric performance additive compositions, and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-09-20 EP disclosed