SCHEMBL28467401

SCHEMBL28467401

O=P(SCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
HSD17B10 Q99714 1/20 0.53
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA5A P35218 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
CFTR P13569 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
ACHE P22303 1/20 0.39
GAA P10253 3/20 0.39
ALPG P10696 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL6831192 0.76 ALPL (0.47) CA2CA4CA5ACA12CA1
SCHEMBL6681928 0.76 ALPL (0.47) CA2CA4CA5ACA12CA1
SCHEMBL6830707 0.76 HPGD (0.43) HSD17B10CA2CA4CA5ACA12
SCHEMBL7074455 0.76 HPGD (0.43) HSD17B10CA2CA4CA5ACA12
SCHEMBL11506589 0.75 CA2 (0.54) CA2CA4CA5ACA12CA1
SCHEMBL12372014 0.74 POLB (0.41) HSD17B10CA2CA4CA5ACA12
SCHEMBL9615766 0.74 CA2 (0.40) MAPTHSD17B10CA2CA4CA5A
SCHEMBL31182164 0.72 MAPT (0.52) MAPTHSD17B10CA2CA4CA5A
SCHEMBL6686597 0.72 HPGD (0.45) CA2CA4CA5ACA12CA1
SCHEMBL3070007 0.72 CA12 (0.41) CA2CA4CA5ACA12CA1

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-111606945-B Preparation method of compound containing P-O bond or P-S bond 烟台大学 2023-06-20 CN disclosed
CN-110330526-B Green synthesis method of thiophosphite 成都理工大学 2021-11-26 CN disclosed
CN-111606945-A Preparation method of compound containing P-O bond or P-S bond 烟台大学 2020-09-01 CN disclosed