SCHEMBL9765324

SCHEMBL9765324

CCC(NS(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 4/20 0.47
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9765299 0.83 SMN1; SMN2 (0.51) ALDH1A1MAPTHTTPOLBNPSR1
SCHEMBL9765306 0.80 KCNA5 (0.55) ALDH1A1TDP1HTTPOLBSMN1; SMN2
SCHEMBL9765264 0.80 KCNA5 (0.55) ALDH1A1TDP1HTTPOLBSMN1; SMN2
SCHEMBL9765315 0.75 HTT (0.49) ALDH1A1TDP1HTTTAS1R3TAS1R1
SCHEMBL9514108 0.75 FFAR1 (0.50) ALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL9765262 0.74 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL9963706 0.73 ALDH1A1 (0.49) ALDH1A1MAPTHTTTAS1R3TAS1R1
SCHEMBL11103819 0.72 L3MBTL1 (0.53) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL1138883 0.72 MEN1 (0.50) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL21165788 0.71 SLC6A2 (0.49) MAPTTDP1TAS1R3TAS1R1SLC6A2

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-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed