SCHEMBL28864215

SCHEMBL28864215

CC(C)CC(NC(=O)[C@@H]1CCC(=O)N1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 2/20 0.42
▸ HDAC3 O15379 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ POLB P06746 2/20 0.38
▸ NCOR2 Q9Y618 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
SCHEMBL19359174 1.00 TRHR (0.42) TRHRHDAC3HDAC1HDAC2HDAC10
SCHEMBL10359347 1.00 TRHR (0.42) TRHRHDAC3HDAC1HDAC2HDAC10
SCHEMBL25834350 0.90 HDAC3 (0.41) TRHRHDAC3HDAC1HDAC2HDAC10
SCHEMBL11164182 0.90 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL26508302 0.88 ALDH1A1 (0.45) TRHRHDAC3HDAC1HDAC2HDAC10
SCHEMBL9719683 0.88 ALDH1A1 (0.45) TRHRHDAC3HDAC1HDAC2HDAC10
SCHEMBL19875638 0.88 ALDH1A1 (0.45) TRHRHDAC3HDAC1HDAC2HDAC10
SCHEMBL9719680 0.88 ALDH1A1 (0.45) TRHRHDAC3HDAC1HDAC2HDAC10
SCHEMBL31199181 0.83 NTSR2 (0.44) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL26508387 0.83 NTSR2 (0.44) 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-109153644-B Small molecules against CEREBLON to enhance effector T cell function H·李·莫菲特癌症中心研究有限公司 2022-10-21 — — CN disclosed
CN-109153644-A SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION H·李·莫菲特癌症中心研究有限公司 2019-01-04 — — CN disclosed
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