SCHEMBL25279455

SCHEMBL25279455

C[C@H](S)CCSCc1ccco1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.50
▸ POLB P06746 7/20 0.50
▸ MAPT P10636 7/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ RECQL P46063 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 3/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ USP2 O75604 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 1/20 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
SCHEMBL23900409 0.77 ALDH1A1 (0.45) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL25237379 0.77 ALDH1A1 (0.46) ALDH1A1POLBMAPTTDP1HSD17B10
SCHEMBL6130008 0.77 ALDH1A1 (0.57) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL10410638 0.75 ALDH1A1 (0.60) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL140950 0.75 TSHR (0.59) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL4869503 0.74 ALDH1A1 (0.54) ALDH1A1POLBMAPTTDP1L3MBTL1
Hydrochloric Acid SCHEMBL10410636 0.74 ALDH1A1 (0.58) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL25278960 0.74 ALDH1A1 (0.50) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL423623 0.74 ALDH1A1 (0.54) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL30463810 0.73 ALDH1A1 (0.43) ALDH1A1POLBMAPTTDP1L3MBTL1

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
WO-2023114466-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY OF THERAPEUTIC AND/OR DIAGNOSTIC SPECIES THE PENN STATE RESEARCH FOUNDATION (US) 2023-06-22 — — WO disclosed
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