SCHEMBL29123425

SCHEMBL29123425

CC(C)(C)C(O)C(Cc1nc(-c2ccc(Oc3ccc(OC(F)F)cn3)cc2)no1)OC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.44
▸ ACACB O00763 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SCN9A Q15858 5/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ P2RX3 P56373 4/20 0.35
▸ FPR2 P25090 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ PPARD Q03181 1/20 0.34

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
SCHEMBL30731710 1.00 LTA4H (0.44) LTA4HACACBKCNH2SCN9ATP53
SCHEMBL30731757 0.91 MAPT (0.38) LTA4HSCN9ATP53SMN1; SMN2MAPT
SCHEMBL29123787 0.91 MAPT (0.38) LTA4HSCN9ATP53SMN1; SMN2MAPT
SCHEMBL30731695 0.88 LTA4H (0.45) LTA4HACACBKCNH2SCN9ATP53
SCHEMBL29123579 0.88 LTA4H (0.45) LTA4HACACBKCNH2SCN9ATP53
SCHEMBL29123777 0.84 LTA4H (0.51) LTA4HACACBKCNH2SCN9ATP53
SCHEMBL29123780 0.84 LTA4H (0.51) LTA4HACACBKCNH2SCN9ATP53
SCHEMBL29123428 0.82 LTA4H (0.40) LTA4HACACBSCN9AP2RX3PPARD
SCHEMBL30827390 0.80 LTA4H (0.52) LTA4HACACBKCNH2SCN9ATP53
SCHEMBL29123657 0.79 SCN9A (0.39) LTA4HKCNH2SCN9ATP53TSHR

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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