SCHEMBL29123464

SCHEMBL29123464

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ GRN P28799 2/20 0.40
▸ SORT1 Q99523 2/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ ACACB O00763 1/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ NPPA P01160 1/20 0.39
▸ MME P08473 1/20 0.39
▸ P2RX3 P56373 5/20 0.39
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ MITF O75030 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 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
SCHEMBL29123526 0.92 PTPN1 (0.42) SCN9AGRNSORT1PTPN1ITGB3
SCHEMBL24665315 0.90 PPARD (0.42) SCN9ALTA4HPTPN1ACACBP2RX3
SCHEMBL27204662 0.89 LMNA (0.46) SCN9ALTA4HGRNSORT1PTPN1
SCHEMBL27171409 0.89 LMNA (0.46) SCN9ALTA4HGRNSORT1PTPN1
SCHEMBL30006457 0.89 LTA4H (0.45) SCN9ALTA4HACACBP2RX3MITF
SCHEMBL27171401 0.89 LTA4H (0.42) SCN9ALTA4HGRNSORT1PTPN1
SCHEMBL27204735 0.89 LTA4H (0.42) SCN9ALTA4HGRNSORT1PTPN1
SCHEMBL24665374 0.83 PTPN1 (0.39) SCN9AGRNSORT1PTPN1PPARD
SCHEMBL30005383 0.82 LTA4H (0.38) SCN9ALTA4HGRNSORT1
SCHEMBL24665373 0.82 LTA4H (0.38) SCN9ALTA4HGRNSORT1

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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