SCHEMBL9829801

SCHEMBL9829801

O=C(Cc1ccccc1)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.60
▸ ITGB2 P05107 3/20 0.60
▸ ICAM1 P05362 3/20 0.60
▸ ITGAL P20701 3/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CA1 P00915 3/20 0.54
▸ CA2 P00918 3/20 0.54
▸ SLC6A5 Q9Y345 1/20 0.54
▸ S1PR1 P21453 4/20 0.53
▸ HIF1A Q16665 1/20 0.52
▸ SLC15A2 Q16348 1/20 0.52
▸ MME P08473 1/20 0.52
▸ ECE1 P42892 1/20 0.52

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
SCHEMBL16673595 0.84 AGTR2 (0.58) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL8250332 0.83 AGTR2 (0.61) AGTR2ITGB2ICAM1ITGALMEN1
SCHEMBL5869520 0.83 AGTR2 (0.61) AGTR2ITGB2ICAM1ITGALMEN1
SCHEMBL28042757 0.83 SLC15A2 (0.70) AGTR2ITGB2ICAM1ITGALS1PR1
SCHEMBL5907039 0.82 AGTR2 (0.57) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL3599440 0.82 AGTR2 (0.57) AGTR2ITGB2ICAM1ITGALCA1
Carnosine SCHEMBL22392772 0.82 SLC15A2 (0.63) AGTR2ITGB2ICAM1ITGALCA1
Carnosine SCHEMBL1160796 0.82 SLC15A2 (0.63) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL4525493 0.82 CA1 (0.72) AGTR2ITGB2ICAM1ITGALCA1
Carnosine SCHEMBL1161102 0.82 SLC15A2 (0.63) AGTR2ITGB2ICAM1ITGALCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240290431-A1 BIOMARKER AND DIAGNOSIS SYSTEM FOR COLORECTAL CANCER DETECTION HANGZHOU CALIBRA DIAGNOSTICS CO LTD (CN) 2024-08-29 — — US 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 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-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 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
US-20240290431-A1 BIOMARKER AND DIAGNOSIS SYSTEM FOR COLORECTAL CANCER DETECTION HANGZHOU CALIBRA DIAGNOSTICS CO LTD (CN) 2024-08-29 — — US disclosed
US-20230402131-A1 BIOMARKER AND DIAGNOSIS SYSTEM FOR COLORECTAL CANCER DETECTION HANGZHOU CALIBRA DIAGNOSTICS CO., LTD. (CN) 2023-12-14 — — US disclosed
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-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-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-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
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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 — — EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 — — US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 — — EP disclosed
Send feedback