SCHEMBL28292794

SCHEMBL28292794

CC(=O)OC(=O)CC(N)C(=O)OP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.33
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL9807834 0.83 CA4 (0.39) CA4
SCHEMBL771737 0.83 CA4 (0.39) CA4
SCHEMBL1985156 0.81 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL1824383 0.81 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL28355439 0.76 CA4 (0.44) CA4
SCHEMBL4297049 0.76 CA4 (0.39) CA4
SCHEMBL771738 0.76 CA4 (0.39) CA4
SCHEMBL771739 0.76 CA4 (0.39) CA4
SCHEMBL3720254 0.74 SLC7A5 (0.48) CA4
SCHEMBL11853143 0.74 CA4 (0.43) CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109661407-A Fusion protein constructs 西北大学 2019-04-19 — — CN claimed
CN-109661407-A Fusion protein constructs 西北大学 2019-04-19 — — CN disclosed
Send feedback