SCHEMBL30731695

SCHEMBL30731695

CC(C)(C)C(O)[C@H](Cc1nc(-c2ccc(Oc3ccc(Cl)cn3)cc2)no1)OC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.45
▸ MAPT P10636 1/20 0.44
▸ SCN9A Q15858 3/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SCN5A Q14524 2/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ MITF O75030 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ ACACB O00763 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL29123579 1.00 LTA4H (0.45) LTA4HMAPTSCN9AFPR2KCNH2
SCHEMBL29123657 0.90 SCN9A (0.39) LTA4HMAPTSCN9AFPR2KCNH2
SCHEMBL30731741 0.90 SCN9A (0.39) LTA4HMAPTSCN9AFPR2KCNH2
SCHEMBL30731710 0.88 LTA4H (0.44) LTA4HMAPTSCN9AFPR2KCNH2
SCHEMBL29123425 0.88 LTA4H (0.44) LTA4HMAPTSCN9AFPR2KCNH2
SCHEMBL29123605 0.83 LTA4H (0.52) LTA4HMAPTSCN9AFPR2KCNH2
SCHEMBL29123608 0.83 LTA4H (0.52) LTA4HMAPTSCN9AFPR2KCNH2
SCHEMBL29123581 0.81 SCN9A (0.44) LTA4HMAPTSCN9AFPR2KCNH2
SCHEMBL30731757 0.80 MAPT (0.38) LTA4HMAPTSCN9ASMN1; SMN2SCN10A
SCHEMBL30731769 0.79 LTA4H (0.63) LTA4HSCN9AFPR2KCNH2

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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