SCHEMBL28323462

SCHEMBL28323462

NC1CCCCC1(N)C(C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.32
SLC1A1 P43005 4/20 0.32
SLC1A3 P43003 3/20 0.32

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
SCHEMBL27404693 0.98 SLC1A3 (0.31) SLC1A2SLC1A1SLC1A3
SCHEMBL27460978 0.76 ALDH1A1 (0.36) SLC1A2SLC1A1SLC1A3
SCHEMBL27902710 0.75
SCHEMBL15865106 0.73 SLC1A2 (0.36) SLC1A2SLC1A1SLC1A3
Acetic Acid SCHEMBL453529 0.73 ALDH1A1 (0.33) SLC1A2SLC1A1SLC1A3
SCHEMBL2962249 0.73
SCHEMBL28134183 0.72
SCHEMBL27388972 0.72 ENPEP (0.32)
SCHEMBL998175 0.71
SCHEMBL6282901 0.70 SLC1A2 (0.33) SLC1A2SLC1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104335046-B Method 卑尔根生物股份公司 2019-10-11 CN disclosed