SCHEMBL9101612

SCHEMBL9101612

CC(O)CC(C)(C)OOC(=O)OC1CCCCCCCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
NAAA Q02083 2/20 0.35
CYP19A1 P11511 4/20 0.34
HTT P42858 3/20 0.34
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7753339 1.00 EPHX1 (0.37) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL7788674 0.87 EPHX1 (0.36) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL7757438 0.86 CYP19A1 (0.41) CYP19A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL83162 0.83 EPHX1 (0.42) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL11516353 0.80 EPHX1 (0.40) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL9103308 0.80
SCHEMBL19452468 0.80 EPHX1 (0.42) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL9103023 0.78
SCHEMBL7757439 0.78 GAA (0.38)
SCHEMBL8507211 0.77 EPHX1 (0.42) EPHX1NAAACYP19A1HTTCYP2C19

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-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
US-5387654-A Hydroxy-peroxides and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-02-07 US disclosed
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP disclosed
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US disclosed