SCHEMBL310578

SCHEMBL310578

CC(C)c1cc(Cl)cc(C=O)c1O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.64
GABRA1 P14867 3/20 0.64
GABRB1 P18505 3/20 0.64
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.41
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4714270 0.80 GABRA1 (1.00) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL6093685 0.80 ERN1 (1.00) ERN1ALDH1A1
SCHEMBL310863 0.79 ERN1 (0.67) ERN1GABRA1GABRB1CA1CA2
SCHEMBL29617422 0.79 GABRA1 (0.57) ERN1GABRA1GABRB1CA1CA2
SCHEMBL3965396 0.79 GABRA1 (0.57) ERN1GABRA1GABRB1CA1CA2
SCHEMBL882866 0.78 ERN1 (0.44) ERN1GABRA1GABRB1CA1CA2
SCHEMBL10322298 0.78 GABRA1 (0.64) ERN1GABRA1GABRB1CA1CA2
SCHEMBL15922982 0.77 GSR (0.42) ERN1GABRA1GABRB1CA1CA2
SCHEMBL5419620 0.76 GSR (0.44) ERN1GABRA1GABRB1CA1CA2
SCHEMBL10809787 0.75 ERN1 (0.41) ERN1GABRA1GABRB1CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093349-B2 Terminally modified polybranched polyimide, metal-plated terminally modified polybranched polyimide, and method for producing the same UBE INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20100009206-A1 TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, METAL-PLATED TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-01-14 US disclosed