SCHEMBL29123787

SCHEMBL29123787

CC(C)(C)C(O)C(Cc1nc(-c2cccc(Oc3ccc(OC(F)F)cn3)c2)no1)OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ FFAR1 O14842 2/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ IDH1 O75874 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ S1PR1 P21453 3/20 0.33

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
SCHEMBL30731757 1.00 MAPT (0.38) MAPTFFAR1LTA4HTHRBTP53
SCHEMBL29123425 0.91 LTA4H (0.44) MAPTLTA4HTP53SMN1; SMN2SCN9A
SCHEMBL30731710 0.91 LTA4H (0.44) MAPTLTA4HTP53SMN1; SMN2SCN9A
SCHEMBL30731741 0.88 SCN9A (0.39) MAPTFFAR1LTA4HTHRBTP53
SCHEMBL29123657 0.88 SCN9A (0.39) MAPTFFAR1LTA4HTHRBTP53
SCHEMBL29123730 0.85 LTA4H (0.42) MAPTFFAR1LTA4HTHRBTP53
SCHEMBL29123726 0.85 LTA4H (0.42) MAPTFFAR1LTA4HTHRBTP53
SCHEMBL29123788 0.83 IDH1 (0.37) MAPTLTA4HIDH1SCN9ASCN10A
SCHEMBL30731695 0.80 LTA4H (0.45) MAPTFFAR1LTA4HTP53SMN1; SMN2
SCHEMBL29123579 0.80 LTA4H (0.45) MAPTFFAR1LTA4HTP53SMN1; SMN2

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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