SCHEMBL311545

SCHEMBL311545

CC(C)c1c(Cl)ccc(C=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.44
ERN1 O75460 11/20 0.40
TDP1 Q9NUW8 1/20 0.38
ALB P02768 2/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33

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
SCHEMBL16096543 0.81 TYR (0.52) TYRERN1ALBTLR2TLR1
SCHEMBL311765 0.79 TYR (0.46) TYRERN1TDP1ALBTLR2
SCHEMBL5697225 0.79 TYR (0.46) TYRERN1TDP1ALBTLR2
SCHEMBL14303935 0.78 TDP1 (0.38) TYRTDP1
SCHEMBL8608158 0.76 ERN1 (0.48) ERN1TDP1TLR2TLR1TLR6
SCHEMBL11678590 0.75 ERN1 (0.44) TYRERN1TDP1TLR2TLR1
SCHEMBL24451054 0.74 CYP3A4 (0.41) TYRTDP1
SCHEMBL658824 0.74 ERN1 (0.47) ERN1TDP1TLR2TLR1TLR6
SCHEMBL28154797 0.73 TYR (0.48) TYRERN1TDP1ALBTRIM24
SCHEMBL7033022 0.72 GABRA1 (0.48)

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