SCHEMBL11087592

SCHEMBL11087592

CCCCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)O)(C(=O)O)C(CCCC)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
F2R P25116 2/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
IDH1 O75874 1/20 0.31
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.30
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL689100 0.83 NR5A2 (0.38) NR5A2NR5A1LMNARECQLF2R
SCHEMBL27928555 0.78 NR5A2 (0.34) NR5A2NR5A1LMNARECQLF2R
SCHEMBL28207783 0.77 NR5A2 (0.35) NR5A2NR5A1F2RGAAPKM
SCHEMBL15951766 0.77 ALDH1A1 (0.37) LMNARECQLGAAHTTMEN1
SCHEMBL21822067 0.76 GAA (0.37) LMNAF2RPTGS1PTGS2GAA
SCHEMBL7030387 0.76 IDH1 (0.35) NR5A2NR5A1LMNARECQLF2R
SCHEMBL8027518 0.75 GAA (0.31) GAAPKMHTTMEN1KMT2A
SCHEMBL1345179 0.75 IDH1 (0.33) LMNARECQLF2RPTGS1PTGS2
SCHEMBL15525741 0.73 ALDH1A1 (0.34) LMNAGAAHTTMEN1KMT2A
SCHEMBL25630 0.73 GAA (0.33) NR5A2NR5A1F2RIDH1GAA

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-4464496-A BLEND CONTAINING EPM OR EPDM GRAFT POLYMER, ANTIOXIDANT-UV STABILIZER COMBINATION UNIROYAL, INC. (US) 1984-08-07 US claimed
US-4205158-A MOLDING MATERIALS WITH GOOD LOW TEMPERATURE PROPERTIES AND HIGH STRENGTH E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-05-27 US claimed
EP-0003809-A1 Copolyetherester compositions stabilized against oxidative degradation and process for their manufacture E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-09-05 EP claimed