SCHEMBL25588776

SCHEMBL25588776

CC(=O)CCCNC(=O)C[C@@H](C(=O)NCCCC(C)=O)N1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.34
▸ HDAC3 O15379 3/20 0.34
▸ HDAC4 P56524 3/20 0.34
▸ HDAC7 Q8WUI4 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC10 Q969S8 3/20 0.34
▸ HDAC11 Q96DB2 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC9 Q9UKV0 3/20 0.34
▸ HDAC5 Q9UQL6 3/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SRC P12931 1/20 0.32

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
SCHEMBL18165057 0.81 PAOX (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL19302564 0.76 TERT (0.31) AKT1
SCHEMBL14513838 0.70 TNF (0.33) —
SCHEMBL18165064 0.70 HDAC1 (0.41) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL30410348 0.69 LMNA (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL30407059 0.68 PTGS1 (0.44) —
SCHEMBL25113060 0.68 PTGS1 (0.47) ALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL10021410 0.68 PTGS1 (0.47) ALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL10021407 0.68 PTGS1 (0.47) ALDH1A1HPGDTP53SMN1; SMN2
SCHEMBL18161922 0.68 HDAC3 (0.35) HDAC1HDAC3HDAC4HDAC7HDAC2

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
WO-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 — — WO disclosed
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