SCHEMBL30576705

SCHEMBL30576705

CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 6/20 0.49
▸ HDAC1 Q13547 6/20 0.49
▸ HDAC2 Q92769 6/20 0.49
▸ HDAC10 Q969S8 5/20 0.49
▸ HDAC11 Q96DB2 5/20 0.49
▸ HDAC6 Q9UBN7 5/20 0.49
▸ MLNR O43193 5/20 0.49
▸ HDAC4 P56524 3/20 0.47
▸ NCOR1 O75376 2/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ GRB2 P62993 2/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL25937942 0.85 OPRM1 (0.53) HDAC1HDAC4
SCHEMBL29352662 0.82 HDAC8 (0.49) HDAC1HDAC6HDAC4HDAC8
SCHEMBL25901467 0.81 TERF2 (0.48) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17866704 0.80 HDAC4 (0.54) HDAC4GRB2
SCHEMBL29349704 0.77 HDAC8 (0.54) HDAC1HDAC6HDAC4HDAC8
SCHEMBL28057731 0.76 ELANE (0.50) MLNRGRB2
SCHEMBL32676347 0.76 PSMB11 (0.53) GRB2
SCHEMBL21128764 0.76 MLNR (0.63) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL29779770 0.75 TERF2 (0.53) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL30785409 0.75 MEN1 (0.53) HDAC3HDAC1HDAC2HDAC10HDAC11

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-119120523-A Radix pseudostellariae proline oligopeptidase gene PhPOP1 and application thereof 贵州中医药大学 2024-12-13 — — CN disclosed
WO-2023171671-A1 METHOD FOR PRODUCING CYCLIC AMIDE 国立大学法人東海国立大学機構 2023-09-14 — — WO disclosed
Send feedback