SCHEMBL31324971

SCHEMBL31324971

CC(C)(C)OC(=O)N(CCCN)CCN(CCCN)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.51
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SSTR4 P31391 1/20 0.33
ACHE P22303 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5460363 0.98 CA14 (0.53) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL1274075 0.96 CA14 (0.55) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL10226299 0.94 CA14 (0.54) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL1274108 0.94 CA14 (0.54) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL10226292 0.94 CA14 (0.54) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL7946683 0.93 CA14 (0.53) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL20411857 0.91 CA14 (0.51) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL22123313 0.91 CA14 (0.51) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL17471898 0.91 CA14 (0.48) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL7947788 0.91 CA14 (0.54) CA14HDAC6HDAC1HDAC2SSTR4

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-119504628-A Synthetic method of pleshafu impurity 北京沣瑞医药科技有限公司 2025-02-25 CN claimed
CN-119504628-A Synthetic method of pleshafu impurity 北京沣瑞医药科技有限公司 2025-02-25 CN disclosed