SCHEMBL8976031

SCHEMBL8976031

CC(C)c1cc(N)c(C(C)C)c(N)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 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
SCHEMBL6542719 0.82 POLB (0.40) GAAPOLBGFER
SCHEMBL10339164 0.81 GAA (0.38) GAAPOLBGFERCA1CA2
SCHEMBL3691524 0.81 GAA (0.38) GAAPOLBGFERCA1CA2
SCHEMBL19197818 0.78 CA1 (0.32) GAAPOLBGFERCA1CA2
SCHEMBL25162202 0.76 CYP3A4 (0.40) GAAPOLBGFERALDH1A1ALOX12
SCHEMBL6542714 0.74 ALDH1A1 (0.39) GAAPOLBGFERCA1CA2
SCHEMBL7537233 0.74 POLB (0.41) GAAPOLBGFERCA1CA2
SCHEMBL23153641 0.74 GABRA1 (0.43) GAAPOLBGFERCA1CA2
SCHEMBL29036816 0.74 POLB (0.42) GAAPOLBGFER
SCHEMBL18135464 0.73 GAA (0.46) GAAPOLBGFERCA1CA2

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
EP-0705863-A1 Two stage melt polymerization process for making polybenzimidazoles HOECHST CELANESE CORPORATION (US) 1996-04-10 EP disclosed
US-4895928-A AROMATIC POLYAMIDES AMOCO CORPORATION (US) 1990-01-23 US disclosed
EP-0263593-A2 Melt-processable polymeric materials based on 5-t-butalisophthalic acid AMOCO CORPORATION (US) 1988-04-13 EP disclosed
US-4717764-A Two stage melt polymerization process for making polymers containing aromatic amide groups CELANESE CORPORATION (US) 1988-01-05 US disclosed