SCHEMBL7718173

SCHEMBL7718173

CC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.58
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
CTSK P43235 8/20 0.50
CTSS P25774 5/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
CAPN1 P07384 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
TGM2 P21980 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL12643955 1.00 FOLH1 (0.58) FOLH1MEN1GAAKMT2ACTSK
SCHEMBL2211809 1.00 FOLH1 (0.58) FOLH1MEN1GAAKMT2ACTSK
SCHEMBL1373885 0.96 MEN1 (0.59) FOLH1MEN1GAAKMT2ACTSK
SCHEMBL1373880 0.96 MEN1 (0.59) FOLH1MEN1GAAKMT2ACTSK
SCHEMBL391537 0.91 MEN1 (0.65) FOLH1MEN1GAAKMT2ACTSK
SCHEMBL10241524 0.91 MEN1 (0.65) FOLH1MEN1GAAKMT2ACTSK
SCHEMBL3445777 0.91 MEN1 (0.65) FOLH1MEN1GAAKMT2ACTSK
Hydrochloric Acid SCHEMBL28881882 0.90 MEN1 (0.63) FOLH1MEN1GAAKMT2ACTSK
SCHEMBL21702752 0.90 MEN1 (0.63) FOLH1MEN1GAAKMT2ACTSK
SCHEMBL20143076 0.90 MEN1 (0.55) FOLH1MEN1GAAKMT2ACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800910-A Double-lock An Nai Pht anticancer prodrug AcKLP and preparation method and application thereof 南京师范大学 2024-04-02 CN claimed
CN-117800910-A Double-lock An Nai Pht anticancer prodrug AcKLP and preparation method and application thereof 南京师范大学 2024-04-02 CN disclosed
CN-116583303-A Tripterine conjugates and uses thereof 瑞阳公司 2023-08-11 CN disclosed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed