SCHEMBL29993495

SCHEMBL29993495

CCc1cc(C)cc[n+]1[O-]

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11258812 0.83 RAB9A (0.33) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL8924008 0.81
SCHEMBL10144621 0.78 SLC6A4 (0.34) TDP1
SCHEMBL9735549 0.77 GAA (0.32) TP53CYP3A4
SCHEMBL3094571 0.77 HDAC8 (0.34) SMN1; SMN2
SCHEMBL19458168 0.76 SMN1; SMN2 (0.36) HTTTP53CYP3A4THRBALOX15
SCHEMBL19458252 0.74 HTT (0.32) HTTTP53CYP3A4THRBALOX15
SCHEMBL10752466 0.74 BCL2 (0.38) SMN1; SMN2TDP1
SCHEMBL942792 0.73
Hydrochloric Acid SCHEMBL10587035 0.72 SMN1; SMN2 (0.35) HTTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117642392-A Preparation and application of compounds with immunoregulation function 上海轶诺药业有限公司 2024-03-01 CN disclosed
WO-2022253327-A1 PREPARATION AND USE OF COMPOUND HAVING IMMUNOMODULATORY FUNCTION 上海轶诺药业有限公司 2022-12-08 WO disclosed
CN-115433210-A Preparation and application of compound with immunoregulation function 上海轶诺药业有限公司 2022-12-06 CN disclosed