SCHEMBL9861346

SCHEMBL9861346

CC(=Cc1c(O)cccc1C=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.52
AKR1C3 P42330 1/20 0.46
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
IAPP P10997 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.37
CYP19A1 P11511 1/20 0.37
APEX1 P27695 6/20 0.36
KDM4E B2RXH2 1/20 0.36
NFKB1 P19838 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL1094265 0.90 AKR1C3 (0.48) ERN1AKR1C3TRIM24TRIM33CA1
SCHEMBL3422780 0.90 AKR1C3 (0.48) ERN1AKR1C3TRIM24TRIM33CA1
SCHEMBL8746654 0.78 AKR1C3 (0.55) AKR1C3APEX1KDM4E
SCHEMBL8746657 0.78 AKR1C3 (0.55) AKR1C3APEX1KDM4E
SCHEMBL1563517 0.77 ERN1 (0.57) ERN1AKR1C3CA1CA2IAPP
SCHEMBL691674 0.77 ERN1 (0.57) ERN1AKR1C3CA1CA2IAPP
SCHEMBL8416364 0.77 AKR1C3 (0.59) ERN1AKR1C3TRIM24TRIM33LMNA
SCHEMBL7525200 0.77 AKR1C3 (0.59) ERN1AKR1C3TRIM24TRIM33LMNA
SCHEMBL208434 0.77 AKR1C3 (0.59) AKR1C3TRIM24TRIM33CA1CA2
SCHEMBL1137305 0.77 AKR1C3 (0.59) AKR1C3TRIM24TRIM33CA1CA2

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
EP-0266548-B1 USE OF POLYMERISABLE MIXTURES FOR THE MANUFACTURE OF ADHESIVE PRODUCTS FOR BIOLOGICAL SUBSTRATES BASED ON COMPOUNDS CONSISTING OF ALDEHYDE, EPOXIDE, ISOCYANATE OR HALOTRIAZINE GROUPS, POLYMERIZABLE GROUPS AND A HIGHER MOLECULAR-WEIGHT BACKBONE Ernst Mühlbauer KG (DE) 1991-09-04 EP disclosed
EP-0266548-A1 Use of polymerisable mixtures for the manufacture of adhesive products for biological substrates based on compounds consisting of aldehyde, epoxide, isocyanate or halotriazine groups, polymerizable groups and a higher molecular-weight backbone Ernst Mühlbauer KG (DE) 1988-05-11 EP disclosed