SCHEMBL30355296

SCHEMBL30355296

NCCC[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.44
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
ECE1 P42892 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPSAB1 Q15661 1/20 0.35
ACE P12821 1/20 0.35
TGM2 P21980 2/20 0.35
GNPAT O15228 1/20 0.35
CPB2 Q96IY4 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL8572501 0.95 FOLH1 (0.50) FOLH1ITGB3ITGA2BECE1SLC6A5
SCHEMBL8572497 0.95 FOLH1 (0.50) FOLH1ITGB3ITGA2BECE1SLC6A5
Hydrochloric Acid SCHEMBL22283120 0.94 FOLH1 (0.49) FOLH1ITGB3ITGA2BECE1SLC6A5
SCHEMBL8799355 0.85 CTSK (0.46) TGM2CA2CTSK
SCHEMBL28409874 0.84 HPGDS (0.38) FOLH1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL11206875 0.82 FOLH1 (0.46) FOLH1ITGB3TGM2CPB2
SCHEMBL28836244 0.82 KMT2A (0.42) FOLH1ECE1CA1CA2
SCHEMBL28836247 0.82 KMT2A (0.42) FOLH1ECE1CA1CA2
SCHEMBL16867534 0.81 FOLH1 (0.53) FOLH1
SCHEMBL30401627 0.81 FOLH1 (0.50) FOLH1ITGB3ITGA2BECE1SLC6A5

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-116041441-A Synthesis method of daptomycin 申联生物医药(上海)股份有限公司 2023-05-02 CN claimed
CN-116041441-A Synthesis method of daptomycin 申联生物医药(上海)股份有限公司 2023-05-02 CN disclosed