SCHEMBL9464150

SCHEMBL9464150

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
GAA P10253 3/20 0.43
TNFRSF1A P19438 1/20 0.43
ALOX5 P09917 2/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
EEF2K O00418 1/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41

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
SCHEMBL27261455 0.79 TNFRSF1A (0.55) LMNARECQLGAATNFRSF1AALOX5
SCHEMBL25760105 0.75 ALOX5 (0.51) LMNARECQLGAATNFRSF1AALOX5
SCHEMBL28993505 0.73 GABBR2 (0.64) GAATNFRSF1AALOX5PTGS1PTGS2
SCHEMBL6136796 0.72 LMNA (0.55) LMNARECQLGAATNFRSF1AALOX5
SCHEMBL38654640 0.72 CYP1A2 (0.49) LMNARECQLGAATNFRSF1AALOX5
SCHEMBL8495448 0.72 ALOX5 (0.65) LMNARECQLGAATNFRSF1AALOX5
Acrylic Acid SCHEMBL30923511 0.72 GLRA3 (0.50) LMNARECQLGAATNFRSF1ACA2
SCHEMBL22887516 0.71 LMNA (0.46) LMNARECQLGAATNFRSF1AALOX5
SCHEMBL29684703 0.71 TNFRSF1A (0.44) LMNARECQLGAATNFRSF1AALOX5
SCHEMBL10976809 0.70 SMN1; SMN2 (0.50) LMNARECQLGAATNFRSF1AALOX5

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-5187304-A 1,5-Bis/4-carboxycyclohexyl/-3-pentanol and derivatives as monomers for polyester coatings or molding materials EASTMAN KODAK COMPANY (US) 1993-02-16 US disclosed