SCHEMBL310863

SCHEMBL310863

Cc1cc(C=O)c(O)c(C(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.67
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TYR P14679 1/20 0.42
GABRA1 P14867 4/20 0.41
GABRB1 P18505 3/20 0.41
GABRB2 P47870 2/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ALB P02768 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
SCHEMBL2561671 0.85 ERN1 (0.62) ERN1TYRSRCALDH1A1ALB
SCHEMBL15330321 0.85 ERN1 (0.62) ERN1TYRSRCALDH1A1ALB
SCHEMBL310746 0.82 ERN1 (0.58) ERN1TYRSRC
SCHEMBL15331547 0.82 ERN1 (0.58) ERN1TYRSRCALDH1A1ALB
SCHEMBL2560285 0.82 ERN1 (0.58) ERN1TYRSRCALB
SCHEMBL15331567 0.82 ERN1 (0.58) ERN1TYRSRCALDH1A1ALB
SCHEMBL2552036 0.82 ERN1 (0.58) ERN1TYRSRCALB
SCHEMBL2556032 0.81 ERN1 (0.56) ERN1TYRSRCALDH1A1ALB
SCHEMBL15331637 0.81 ERN1 (0.56) ERN1TYRSRCALDH1A1ALB
SCHEMBL546033 0.81 ERN1 (1.00) ERN1TYRSRCALDH1A1GAA

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