SCHEMBL9015703

SCHEMBL9015703

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
SERPINE1 P05121 4/20 0.41
ESR1 P03372 7/20 0.39
ALOX5 P09917 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
TNFRSF1A P19438 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL10986042 0.79 SERPINE1 (0.62) LMNARECQLSERPINE1ESR1ALOX5
SCHEMBL9015650 0.79 LMNA (0.49) LMNARECQLSERPINE1ALOX5PTGS1
SCHEMBL9246950 0.79 ESR1 (0.58) LMNARECQLSERPINE1ESR1AKR1C4
SCHEMBL7943043 0.79 LMNA (0.49) LMNARECQLSERPINE1ESR1ALOX5
SCHEMBL10787434 0.79 ESR1 (0.53) LMNARECQLSERPINE1ESR1AKR1C4
SCHEMBL9015691 0.79 GAA (0.48) LMNAALOX5PTGS1
SCHEMBL9015704 0.77 LMNA (0.41) LMNARECQLSERPINE1ESR1ALOX5
SCHEMBL25639260 0.77 LMNA (0.50) LMNARECQLSERPINE1ESR1ALOX5
SCHEMBL7940101 0.77 SERPINE1 (0.51) LMNARECQLSERPINE1ESR1ALOX5
SCHEMBL5008042 0.77 ESR1 (0.67) LMNARECQLSERPINE1ESR1AKR1C4

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 3 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 claimed
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