SCHEMBL8644205

SCHEMBL8644205

C[C@@H](O)[C@H](N)C(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
PAM P19021 1/20 0.47
KMT2A Q03164 2/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
SLC15A1 P46059 1/20 0.43
SLC7A5 Q01650 1/20 0.40
CYP19A1 P11511 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MEN1 O00255 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
SCHEMBL4414630 0.85 TSHR (0.59) TSHRL3MBTL1ALDH1A1MAPK1PAM
SCHEMBL16439989 0.82 TSHR (0.68) TSHRL3MBTL1ALDH1A1MAPK1PAM
Threonine SCHEMBL6040179 0.80 SLC7A5 (0.56) TSHRL3MBTL1ALDH1A1MAPK1PAM
SCHEMBL10870099 0.80 ALDH1A1 (0.49) TSHRL3MBTL1ALDH1A1MAPK1KMT2A
SCHEMBL3727126 0.80 ALPI (0.53) SLC15A1SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL8210229 0.80 TSHR (0.53) TSHRL3MBTL1ALDH1A1MAPK1PAM
Threonine SCHEMBL6040177 0.80 SLC7A5 (0.56) TSHRL3MBTL1ALDH1A1MAPK1PAM
SCHEMBL27554887 0.79 ALDH1A1 (0.47) TSHRL3MBTL1ALDH1A1MAPK1KMT2A
SCHEMBL8232952 0.79 ALDH1A1 (0.55) L3MBTL1ALDH1A1MAPK1KMT2ASLC15A1
SCHEMBL216743 0.79 ALDH1A1 (0.55) L3MBTL1ALDH1A1MAPK1KMT2ASLC15A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115440375-A Colorectal cancer prediction system and application thereof 杭州凯莱谱精准医疗检测技术有限公司 2022-12-06 CN claimed
CN-115436633-A Biomarker for colorectal cancer detection and application thereof 杭州凯莱谱精准医疗检测技术有限公司 2022-12-06 CN claimed
CN-114755422-A Biomarker for colorectal cancer detection and application thereof 杭州凯莱谱精准医疗检测技术有限公司 2022-07-15 CN claimed
CN-115440375-A Colorectal cancer prediction system and application thereof 杭州凯莱谱精准医疗检测技术有限公司 2022-12-06 CN disclosed
CN-115436633-A Biomarker for colorectal cancer detection and application thereof 杭州凯莱谱精准医疗检测技术有限公司 2022-12-06 CN disclosed
CN-114755422-B Biomarker for colorectal cancer detection and application thereof 杭州凯莱谱精准医疗检测技术有限公司 2022-10-21 CN disclosed
CN-114758719-B Colorectal cancer prediction system and application thereof 杭州凯莱谱精准医疗检测技术有限公司 2022-10-21 CN disclosed
CN-114755422-A Biomarker for colorectal cancer detection and application thereof 杭州凯莱谱精准医疗检测技术有限公司 2022-07-15 CN disclosed
CN-114758719-A Colorectal cancer prediction system and application thereof 杭州凯莱谱精准医疗检测技术有限公司 2022-07-15 CN disclosed
US-5800804-A DEODORIZING COMPOSITION USING AMINO ACID DERIVATIVES THE GILLETTE COMPANY (US) 1998-09-01 US disclosed