SCHEMBL24445178

SCHEMBL24445178

CC(=O)CCC(=O)NCCSSCCNC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
GAA P10253 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL16532921 0.85 ALDH1A1 (0.37) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL24054682 0.84 LMNA (0.39) ALDH1A1TSHRLMNA
SCHEMBL19849367 0.84 ALDH1A1 (0.48) ALDH1A1TSHRLMNAGAAADRB2
SCHEMBL22329055 0.84 ALDH1A1 (0.36) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL23419140 0.81 MEN1 (0.47) ALDH1A1TSHRLMNAHDAC3HDAC4
SCHEMBL16526493 0.81 LMNA (0.41) ALDH1A1TSHRLMNAGAACA1
SCHEMBL19321846 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL10272259 0.80 TSHR (0.54) ALDH1A1TSHRLMNAHDAC3HDAC4
SCHEMBL12902809 0.79 CASP2 (0.47) ALDH1A1TSHRLMNAGAAADRB2
SCHEMBL13340981 0.79 PAOX (0.37) ALDH1A1TSHRLMNAGAACA1

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
EP-3347053-B1 FUNCTIONAL, SEGREGATED, CHARGED TELODENDRIMERS AND NANOCARRIERS AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR STATE UNIV OF NEW YORK (US) 2022-05-25 EP disclosed