SCHEMBL29123428

SCHEMBL29123428

CC(C)(C)C(c1nc(-c2ccc(Oc3ccc(OC(F)F)cn3)cc2)no1)C(CO)OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.40
▸ ACACB O00763 8/20 0.40
▸ PPARD Q03181 7/20 0.40
▸ PPARA Q07869 7/20 0.40
▸ SCN9A Q15858 3/20 0.39
▸ P2RX3 P56373 4/20 0.36

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
SCHEMBL29123788 0.91 IDH1 (0.37) LTA4HPPARDPPARASCN9AP2RX3
SCHEMBL29123581 0.88 SCN9A (0.44) LTA4HACACBPPARDPPARASCN9A
SCHEMBL30731710 0.82 LTA4H (0.44) LTA4HACACBPPARDPPARASCN9A
SCHEMBL29123425 0.82 LTA4H (0.44) LTA4HACACBPPARDPPARASCN9A
SCHEMBL29123660 0.79 SCN9A (0.37) LTA4HSCN9AP2RX3
SCHEMBL29123777 0.79 LTA4H (0.51) LTA4HACACBPPARDPPARASCN9A
SCHEMBL29123780 0.79 LTA4H (0.51) LTA4HACACBPPARDPPARASCN9A
SCHEMBL30731591 0.76 PPARD (0.43) LTA4HACACBPPARDPPARASCN9A
SCHEMBL29123787 0.74 MAPT (0.38) LTA4HSCN9A
SCHEMBL27171420 0.72 LTA4H (0.68) LTA4HACACBSCN9A

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-117015537-A Heteroaryl aminopropanol derivatives as inhibitors of LTA4H 诺华股份有限公司 2023-11-07 — — CN disclosed
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