SCHEMBL29976342

SCHEMBL29976342

CCOS(=O)(=O)c1ccc(C)cc1OCCOc1cccnc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 3/20 0.53
▸ NPC1 O15118 3/20 0.47
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MITF O75030 1/20 0.40

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
SCHEMBL21219198 0.77 ALDH1A1 (0.41) S1PR4ALDH1A1MAPTPOLBRAB9A
SCHEMBL4420431 0.77 L3MBTL1 (0.42) S1PR4NPC1ALDH1A1MAPTHTT
SCHEMBL27173079 0.77 CA12 (0.46) S1PR4ALDH1A1MAPTPOLBRAB9A
SCHEMBL28541140 0.76 ALDH1A1 (0.43) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL21815478 0.75 MEN1 (0.47) NPC1ALDH1A1MAPTHTTPOLB
SCHEMBL28455212 0.75 MAPT (0.38) S1PR4NPC1ALDH1A1MAPTPOLB
SCHEMBL27853767 0.75 EGFR (0.44) ALDH1A1MAPTLMNA
SCHEMBL28380826 0.75 TSHR (0.39) S1PR4ALDH1A1MAPTPOLBRAB9A
SCHEMBL28354485 0.75 TSHR (0.39) ALDH1A1MAPTPOLBRAB9ALMNA
SCHEMBL27208962 0.75 MAPT (0.40) S1PR4ALDH1A1MAPTPOLBRAB9A

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-113476619-B A kind of 18 F-labeled nano antibody probe and preparation method and application thereof 上海交通大学医学院附属仁济医院 2022-11-29 — — CN claimed
CN-113476619-B A kind of 18 F-labeled nano antibody probe and preparation method and application thereof 上海交通大学医学院附属仁济医院 2022-11-29 — — CN disclosed
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