SCHEMBL8744996

SCHEMBL8744996

C/C(=C\Cc1cccc(O)c1O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IAPP P10997 6/20 0.51
SLC22A12 Q96S37 5/20 0.44
BACE1 P56817 1/20 0.43
SLC2A9 Q9NRM0 1/20 0.39
ERN1 O75460 1/20 0.39
AKR1B1 P15121 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
AKR1C3 P42330 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL5421666 0.86 AKR1B1 (0.50) IAPPSLC22A12BACE1SLC2A9AKR1B1
SCHEMBL17595074 0.86 AKR1B1 (0.50) IAPPSLC22A12BACE1SLC2A9AKR1B1
SCHEMBL4638602 0.84 IAPP (0.57) IAPPBACE1
SCHEMBL10907538 0.80 IAPP (0.50) IAPPGABRA1GABRB2HTT
SCHEMBL29755788 0.80 IAPP (0.50) IAPPGABRA1GABRB2HTT
Acetic Acid SCHEMBL16679832 0.78 GABRA1 (0.58) IAPPAKR1B1GABRA1GABRB2HTT
SCHEMBL11399077 0.77 SLC22A12 (0.44) SLC22A12BACE1SLC2A9AKR1C3
SCHEMBL11399081 0.77 SLC22A12 (0.44) SLC22A12BACE1SLC2A9AKR1C3
SCHEMBL5489366 0.76 CTBP2 (0.47) SLC22A12BACE1SLC2A9AKR1C3HTT
SCHEMBL11395760 0.76 CTBP2 (0.47) SLC22A12BACE1SLC2A9AKR1C3HTT

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-0649063-B1 Matted radiation-sensitive recording material AGFA GEVAERT AG (DE) 1997-01-29 EP disclosed
EP-0649063-A1 Matted radiation-sensitive recording material HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-19 EP disclosed