SCHEMBL9817862

SCHEMBL9817862

C=CC(=O)OCC(O)S(=O)(=O)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
THRB P10828 1/20 0.38
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
ADRB3 P13945 3/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP1 P29466 2/20 0.33
ITGAV P06756 1/20 0.33
POLB P06746 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 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
SCHEMBL3182778 0.77 ALDH1A1 (0.42) TSHRTHRBALDH1A1ALOX12HTT
SCHEMBL28013355 0.75 THRB (0.40) TSHRTHRBSLC1A3SLC1A2SLC1A1
SCHEMBL9302812 0.74 THRB (0.49) TSHRTHRBALDH1A1ALOX12HTT
SCHEMBL28139081 0.72 TSHR (0.44) TSHRTHRBADRB2ADRB1ADRB3
SCHEMBL7470086 0.72 POLB (0.44) THRBSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL12573379 0.71 KDM4E (0.57) ADRB2ADRB1ADRB3ALDH1A1KMT2A
SCHEMBL10492073 0.71 GAA (0.41) ADRB2ADRB1SLC1A3SLC1A2SLC1A1
SCHEMBL27738550 0.71 POLB (0.43) THRBSLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL11580098 0.71 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1ALDH1A1ALOX12
SCHEMBL6390791 0.70 RAPGEF4 (0.40) TSHRSLC1A3SLC1A2SLC1A1ALDH1A1

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-0460026-A1 HIGH PERFORMANCE AFFINITY CHROMATOGRAPHY COLUMN COMPRISING NON-POROUS, MONODISPERSE POLYMERIC PACKING MATERIAL EASTMAN KODAK COMPANY (US) 1991-12-11 EP disclosed
WO-1990009832-A1 HIGH PERFORMANCE AFFINITY CHROMATOGRAPHY COLUMN COMPRISING NON-POROUS, MONODISPERSE POLYMERIC PACKING MATERIAL EASTMAN KODAK COMPANY (US) 1990-09-07 WO disclosed