SCHEMBL28575995

SCHEMBL28575995

CCCCNC(=O)c1ccccc1Sc1c(C)cccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NAAA Q02083 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL1387769 0.83 TSHR (0.75) HPGDTSHRHTTSMN1; SMN2GAA
SCHEMBL25442701 0.81 HPGD (0.71) HPGDTSHRHTTSMN1; SMN2RAB9A
SCHEMBL11750445 0.81 TSHR (0.67) HPGDTSHRHTTGAAKMT2A
SCHEMBL4440972 0.80 POLB (0.53) HPGDHTTSMN1; SMN2RAB9AKMT2A
SCHEMBL11341066 0.78 TSHR (0.75) HPGDTSHRHTTSMN1; SMN2GAA
SCHEMBL30593956 0.78 TSHR (0.75) HPGDTSHRHTTSMN1; SMN2GAA
SCHEMBL6273378 0.77 HTT (0.86) HPGDTSHRHTTSMN1; SMN2KMT2A
SCHEMBL486382 0.77 TSHR (0.80) HPGDTSHRHTTSMN1; SMN2RAB9A
SCHEMBL2735593 0.76 HPGD (0.91) HPGDTSHRHTTGAAKMT2A
SCHEMBL11751537 0.76 HPGD (0.71) HPGDTSHRHTTSMN1; SMN2KMT2A

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
CN-112898188-B Method for preparing alpha-acyloxy thioether derivative 常州大学 2022-03-08 CN disclosed
CN-112898188-A Method for preparing alpha-acyloxy thioether derivative 常州大学 2021-06-04 CN disclosed