SCHEMBL29742385

SCHEMBL29742385

CCN(CCN(CCN(CC(=O)O)C(COCc1ccccc1)C(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
SLC1A1 P43005 1/20 0.39
FOLH1 Q04609 1/20 0.38
PPARA Q07869 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A9 P48067 1/20 0.36
CA1 P00915 5/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
GYS1 P13807 1/20 0.35
PPARG P37231 1/20 0.35
CA4 P22748 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8068485 0.94 MAOB (0.43) MAOBSLC1A1FOLH1PPARACA1
SCHEMBL8068462 0.94 MAOB (0.43) MAOBSLC1A1FOLH1PPARACA1
SCHEMBL8059292 0.94 MAOB (0.43) MAOBSLC1A1FOLH1PPARACA1
SCHEMBL4938839 0.93 MAOB (0.42) MAOBSLC1A1FOLH1PPARACA1
SCHEMBL29406971 0.93 MAOB (0.42) MAOBSLC1A1FOLH1PPARACA1
SCHEMBL1144138 0.93 MAOB (0.42) MAOBSLC1A1FOLH1PPARACA1
SCHEMBL6443574 0.89 FOLH1 (0.46) MAOBSLC1A1FOLH1PPARACA1
SCHEMBL7594884 0.89 SLC1A1 (0.47) MAOBSLC1A1FOLH1PPARACA1
SCHEMBL8059372 0.88 SLC1A1 (0.44) MAOBSLC1A1FOLH1PPARACA1
SCHEMBL6443585 0.86 MAOB (0.38) MAOBSLC1A1FOLH1PPARACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118660723-A Therapeutic diagnostic folate conjugates 默克专利股份有限公司 2024-09-17 CN disclosed
CN-118647412-A Therapeutic diagnostic folate conjugates 默克专利股份有限公司 2024-09-13 CN disclosed
CN-116440315-A Multi-mode developed gelatin sponge microsphere and preparation method thereof 海南百迈科医疗科技股份有限公司 2023-07-18 CN disclosed
CN-113209304-B Chelated calcium self-assembled nano particle and preparation method and application thereof 复旦大学附属金山医院(上海市金山区核化伤害应急救治中心、上海市金山区眼病防治所) 2023-01-24 CN disclosed
CN-114845990-A Calcium BOPTA complex 伯拉考成像股份公司 2022-08-02 CN disclosed
CN-114845990-A Calcium BOPTA complex 伯拉考成像股份公司 2022-08-02 CN disclosed