SCHEMBL30580506

SCHEMBL30580506

Cc1cccc(C)c1Sc1ccccc1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 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
SCHEMBL30580494 0.89 BRD4 (0.41) GAABRD4TSHRRIPK1SLC6A2
SCHEMBL795222 0.81 TSHR (0.50) GAATSHRRIPK1SLC6A2SLC6A4
SCHEMBL31345520 0.80 AR (0.46) KMT2APOLB
SCHEMBL9488226 0.77 HAO1 (0.47) TSHRALDH1A1L3MBTL1TDP1CYP1A2
SCHEMBL14712741 0.76 SLC6A9 (0.48) GAATSHRRIPK1SLC6A2SLC6A4
SCHEMBL14654309 0.76 TSHR (0.44) GAATSHRRIPK1SLC6A2SLC6A4
SCHEMBL30580497 0.76 HTR1A (0.46) GAABRD4SLC6A2SLC6A4ALDH1A1
SCHEMBL30580496 0.76 ALDH1A1 (0.47) GAABRD4ALDH1A1L3MBTL1KDM4E
SCHEMBL232763 0.75 SMN1; SMN2 (0.56) GAABRD4TSHRRIPK1SLC6A2
SCHEMBL30580499 0.74 AR (0.41) GAAALDH1A1MAPK1HTTL3MBTL1

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
CN-116621745-A (2-phenoxyphenyl) phenyl thioether compound and synthesis method thereof 华北水利水电大学 2023-08-22 — — CN disclosed
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