SCHEMBL30753699

SCHEMBL30753699

NCCC[C@H](N)C(=O)N[C@H](CC(=O)Nc1cnc2ccccc2c1)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 14/20 0.51
▸ SCN9A Q15858 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ GPR34 Q9UPC5 1/20 0.41
▸ LNPEP Q9UIQ6 2/20 0.40

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
SCHEMBL30753716 0.93 HDAC6 (0.48) LTA4HSCN9AHDAC3HDAC4HDAC1
SCHEMBL30753723 0.90 LTA4H (0.58) LTA4H
SCHEMBL30753713 0.89 BDKRB2 (0.46) SCN9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30753729 0.88 POLB (0.48) SCN9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30753732 0.86 TRPV1 (0.49) SCN9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30753708 0.85 HDAC1 (0.41) SCN9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30753720 0.81 RAB9A (0.47) LTA4H
SCHEMBL1244207 0.80 SCN9A (0.51) LTA4HSCN9AHDAC3HDAC4HDAC1
SCHEMBL30753733 0.79 RAB9A (0.45) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL30753730 0.78 MC4R (0.45) LTA4H

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
CN-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 — — CN disclosed
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