SCHEMBL310898

SCHEMBL310898

Cc1ccc(C=O)c(O)c1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.41
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TYR P14679 2/20 0.34
TRIM24 O15164 2/20 0.34
TRIM33 Q9UPN9 2/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL16628803 0.82 ALDH1A1 (0.41) ERN1ALDH1A1TSHRTRIM24TRIM33
SCHEMBL180678 0.81 ERN1 (0.39) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL28385513 0.79 ERN1 (0.40) ERN1TLR2TLR1TLR6TYR
SCHEMBL452160 0.77 ERN1 (0.48) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL31597226 0.77 GABRA1 (0.48) ALDH1A1TSHRGABRA1GABRB2TYR
SCHEMBL394653 0.77 GABRA1 (0.48) ALDH1A1TSHRGABRA1GABRB2TYR
SCHEMBL1821773 0.77 SELL (0.37) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3065272 0.75 ERN1 (0.46) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL28155707 0.74 TDP1 (0.41) ERN1ALDH1A1TSHRTYRTRIM24
SCHEMBL4580995 0.74 ERN1 (0.45) ERN1TLR2TLR1TLR6ALDH1A1

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