SCHEMBL28333317

SCHEMBL28333317

COOC(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.58
HTT P42858 3/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
HPGD P15428 2/20 0.55
NAPRT Q6XQN6 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.52
TSHR P16473 2/20 0.52
EPHX1 P07099 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL8827353 0.87 SMN1; SMN2 (0.61) SMN1; SMN2HTTALDH1A1GAAHPGD
SCHEMBL282531 0.85 SMN1; SMN2 (0.71) SMN1; SMN2HTTALDH1A1GAAHPGD
SCHEMBL8884482 0.83 SMN1; SMN2 (0.69) SMN1; SMN2HTTALDH1A1GAAHPGD
SCHEMBL9158426 0.79 SMN1; SMN2 (0.65) SMN1; SMN2HTTALDH1A1GAAHPGD
SCHEMBL3319318 0.79 SMN1; SMN2 (0.65) SMN1; SMN2HTTALDH1A1GAAHPGD
SCHEMBL13979800 0.79 ALDH1A1 (0.55) SMN1; SMN2HTTALDH1A1GAAHPGD
SCHEMBL13604294 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HTTLMNATP53EPHX2
SCHEMBL27859412 0.79 ALDH1A1 (0.51) SMN1; SMN2HTTALDH1A1GAAHPGD
SCHEMBL2244779 0.78 SMN1; SMN2 (0.61) SMN1; SMN2HTTALDH1A1GAAHPGD
Acetaldehyde SCHEMBL4039985 0.78 SMN1; SMN2 (0.62) SMN1; SMN2HTTALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212494-A2 PREDICTIVE PESTICIDE RESISTANCE INFORMATION GENERATION AND USE PIONEER HI-BRED INTERNATIONAL, INC. (US) 2023-11-02 WO claimed
EP-4255175-A1 PREDICTIVE PESTICIDE RESISTANCE MAP GENERATION AND USE Pioneer Hi-Bred International, Inc. (US) 2023-10-11 EP claimed
CN-113563304-B Rugol intermediate and preparation method thereof 上海博志研新药物技术有限公司 2022-06-28 CN claimed
CN-113563363-B Ruugeli intermediate, preparation method thereof and preparation method of Ruugeli 上海博志研新药物技术有限公司 2022-06-28 CN claimed
CN-113429423-B Rugoside intermediate and preparation method thereof 上海博志研新药物技术有限公司 2022-05-17 CN claimed
WO-2022099169-A1 PREDICTIVE PESTICIDE RESISTANCE MAP GENERATION AND USE PIONEER HI-BRED INTERNATIONAL, INC. (US) 2022-05-12 WO claimed
CN-113563303-B Rugoside intermediate and preparation method thereof 上海博志研新药物技术有限公司 2022-04-12 CN claimed
CN-113563303-A Rugoside intermediate and preparation method thereof 上海博志研新药物技术有限公司 2021-10-29 CN claimed
CN-113563363-A Rugoside intermediate, preparation method thereof and preparation method of Rugoside 上海博志研新药物技术有限公司 2021-10-29 CN claimed
CN-113563304-A Rugoside intermediate and preparation method thereof 上海博志研新药物技术有限公司 2021-10-29 CN claimed
CN-113429423-A Rugoside intermediate and preparation method thereof 上海博志研新药物技术有限公司 2021-09-24 CN claimed
WO-2024163166-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2024-08-08 WO disclosed
WO-2023212494-A2 PREDICTIVE PESTICIDE RESISTANCE INFORMATION GENERATION AND USE PIONEER HI-BRED INTERNATIONAL, INC. (US) 2023-11-02 WO disclosed
EP-4255175-A1 PREDICTIVE PESTICIDE RESISTANCE MAP GENERATION AND USE Pioneer Hi-Bred International, Inc. (US) 2023-10-11 EP disclosed
CN-116600637-A Superabsorbent polymer foam UPL有限责任公司 2023-08-15 CN disclosed
CN-116133654-A Methods and compositions for treating fungal infections 纽库利私人有限公司 2023-05-16 CN disclosed
WO-2022099169-A1 PREDICTIVE PESTICIDE RESISTANCE MAP GENERATION AND USE PIONEER HI-BRED INTERNATIONAL, INC. (US) 2022-05-12 WO disclosed
CN-110407751-A The preparation method of N- Methoxyphenylamino methyl formate UNIV WUHAN SCIENCE & TECH 2019-11-05 CN disclosed