SCHEMBL28838991

SCHEMBL28838991

C=CS(=O)(=O)c1ccc(OCCOc2cc(CCC)ccc2S(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ THRB P10828 1/20 0.38
▸ S1PR3 Q99500 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 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
SCHEMBL28839013 0.87 LMNA (0.49) LMNAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL11340951 0.75 TSHR (0.62) LMNAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL21751904 0.74 CA12 (0.39) ALDH1A1S1PR3CA12CA1CA9
SCHEMBL10180637 0.73 CA2 (0.58) LMNAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL4501364 0.71 RAB9A (0.46) LMNAALDH1A1MAPTTSHRHTT
SCHEMBL11338130 0.71 TSHR (0.57) LMNAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL27847781 0.71 HTR2A (0.37) ALDH1A1SMN1; SMN2NPC1MAPK1RAB9A
SCHEMBL11340502 0.69 LMNA (0.63) LMNAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL30084592 0.66 ALDH1A1 (0.59) LMNAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL146202 0.66 FLT3 (0.40) LMNAALDH1A1MAPTMEN1KMT2A

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-115057801-A F-18 labeled PSMA (patterned Markov chain) targeted PET (polyethylene terephthalate) probe and preparation method thereof 西南医科大学附属医院 2022-09-16 — — CN disclosed
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