SCHEMBL30753723

SCHEMBL30753723

NCCC[C@H](N)C(=O)N[C@H](CC(=O)Nc1ccc2ccccc2c1)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 15/20 0.58
▸ FNTA P49354 1/20 0.48
▸ FNTB P49356 1/20 0.48
▸ ROCK2 O75116 1/20 0.44

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
SCHEMBL30753720 0.92 RAB9A (0.47) LTA4H
SCHEMBL30753699 0.90 LTA4H (0.51) LTA4H
SCHEMBL30753733 0.89 RAB9A (0.45) LTA4H
SCHEMBL30753700 0.88 SMN1; SMN2 (0.47) LTA4H
SCHEMBL30753712 0.87 RAB9A (0.47) LTA4H
SCHEMBL30753730 0.87 MC4R (0.45) LTA4H
SCHEMBL30753725 0.86 MEN1 (0.44) LTA4HFNTAFNTB
SCHEMBL30753715 0.84 RAB9A (0.44) LTA4H
SCHEMBL30753734 0.84 RAB9A (0.41) LTA4HFNTAFNTB
SCHEMBL29163915 0.83 LTA4H (0.55) LTA4HFNTAFNTBROCK2

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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