SCHEMBL29953931

SCHEMBL29953931

CCCc1cccc(C=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.52
TLR2 O60603 1/20 0.49
TLR1 Q15399 1/20 0.49
TLR6 Q9Y2C9 1/20 0.49
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
PRKCI P41743 1/20 0.46
IAPP P10997 5/20 0.44
ELANE P08246 2/20 0.42
CTSG P08311 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 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
SCHEMBL1527632 1.00 ERN1 (0.52) ERN1TLR2TLR1TLR6GABRA1
SCHEMBL7091232 0.93 ALOX5 (0.46) ERN1TLR2TLR1TLR6GABRA1
SCHEMBL193427 0.89 ALOX5 (0.49) ERN1TLR2TLR1TLR6GABRA1
SCHEMBL21002293 0.88 ERN1 (0.59) ERN1TLR2TLR1TLR6GABRA1
SCHEMBL1527091 0.88 ALOX5 (0.55) ERN1TLR2TLR1TLR6IAPP
SCHEMBL29607733 0.86 GABRA1 (0.64) ERN1TLR2TLR1TLR6GABRA1
SCHEMBL1527079 0.86 GABRA1 (0.64) ERN1TLR2TLR1TLR6GABRA1
SCHEMBL11503688 0.86 ALOX5 (0.54) ERN1ELANECTSGALOX5PTGS2
SCHEMBL8531468 0.86 ALOX5 (0.54) ERN1ELANECTSGALOX5PTGS2
SCHEMBL6910210 0.86 ALOX5 (0.54) ERN1ELANECTSGALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed