SCHEMBL29851702

SCHEMBL29851702

CSCC[C@H](NC(=O)C(C)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
FOLH1 Q04609 1/20 0.50
LTA4H P09960 1/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA2 P00918 2/20 0.46
MAPK1 P28482 2/20 0.46
CA1 P00915 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
GAA P10253 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL4572626 1.00 LMNA (0.51) LMNAFOLH1LTA4HALDH1A1NPSR1
SCHEMBL4957057 1.00 LMNA (0.51) LMNAFOLH1LTA4HALDH1A1NPSR1
SCHEMBL29204872 0.87 LMNA (0.53) LMNAFOLH1LTA4HALDH1A1NPSR1
SCHEMBL4953101 0.86 LMNA (0.51) LMNAFOLH1LTA4HALDH1A1NPSR1
Lactic Acid SCHEMBL7645935 0.84 ALDH1A1 (0.50) LMNAFOLH1ALDH1A1NPSR1CA2
Lactic Acid SCHEMBL7645933 0.84 ALDH1A1 (0.50) LMNAFOLH1ALDH1A1NPSR1CA2
SCHEMBL1861162 0.84 FNTA (0.50) LMNAFOLH1LTA4HALDH1A1NPSR1
SCHEMBL11106331 0.84 ACE (0.61) LMNAFOLH1LTA4HALDH1A1NPSR1
SCHEMBL1859748 0.84 FNTA (0.50) LMNAFOLH1LTA4HALDH1A1NPSR1
SCHEMBL18782968 0.84 LMNA (0.50) LMNAFOLH1LTA4HALDH1A1NPSR1

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
EP-4058556-A1 CELL CULTURE MEDIA Merck Patent GmbH (DE) 2022-09-21 EP claimed
CN-114641562-A Cell culture medium 默克专利股份公司 2022-06-17 CN claimed
EP-4695380-A1 METHODS FOR PERFORMING PERFUSION CELL CULTURE Merck Patent GmbH (DE) 2026-02-18 EP disclosed
WO-2024213615-A1 METHODS FOR PERFORMING PERFUSION CELL CULTURE MERCK PATENT GMBH (DE) 2024-10-17 WO disclosed
EP-4058556-A1 CELL CULTURE MEDIA Merck Patent GmbH (DE) 2022-09-21 EP disclosed
CN-114641562-A Cell culture medium 默克专利股份公司 2022-06-17 CN disclosed