SCHEMBL24797599

SCHEMBL24797599

CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ KLK5 Q9Y337 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL25854493 1.00 REN (0.46) RENHDAC8CA12CA1CA2
SCHEMBL31045317 0.93 HDAC8 (0.52) RENHDAC8CA12CA1CA2
SCHEMBL25854489 0.90 REN (0.44) RENHDAC8CA12CA1CA2
SCHEMBL25863209 0.89 JAK2 (0.44) RENHDAC8JAK2BACE1
SCHEMBL17531777 0.89 MEN1 (0.44) RENHDAC8KMT2AHDAC4HDAC1
SCHEMBL17531778 0.87 TAAR1 (0.43) RENKMT2A
SCHEMBL25854495 0.87 REN (0.45) RENKLK5KMT2AATM
SCHEMBL30302156 0.83 MDM4 (0.39) —
SCHEMBL22070158 0.83 TAAR1 (0.46) KMT2A
SCHEMBL17531811 0.83 NAMPT (0.39) RENHDAC8HDAC4HDAC1

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-4108675-A1 PREPARATION AND USE OF IMMUNOSTIMULATORY COUPLING COMPLEX WHICH IS DELIVERED AND ACTIVATED IN TARGETED MANNER Yafei Shanghai Biolog Medicine Science & Technology Co., Ltd. (CN) 2022-12-28 — — EP disclosed
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