SCHEMBL29123534

SCHEMBL29123534

CC(C)(C)NC(=O)O[C@H](CO)Cc1nc(-c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)no1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ SCN9A Q15858 10/20 0.41
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ FAAH O00519 1/20 0.38

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
SCHEMBL29123607 0.91 SCN9A (0.49) SCN9AMAPTLMNAFFAR1
SCHEMBL29123469 0.88 SCN9A (0.46) MAPK1SCN9AFFAR1GAA
SCHEMBL29123473 0.88 SCN9A (0.46) MAPK1SCN9AFFAR1GAA
SCHEMBL29123679 0.85 LTA4H (0.56) —
SCHEMBL24664167 0.83 MAPK1 (0.42) MAPK1SCN9AMAPTLMNARAB9A
SCHEMBL29123536 0.83 MAPK1 (0.42) MAPK1SCN9AMAPTLMNARAB9A
SCHEMBL29123324 0.81 LTA4H (0.54) MAPK1SCN9AMAPTFFAR1GAA
SCHEMBL24664170 0.81 LTA4H (0.54) MAPK1SCN9AMAPTFFAR1GAA
SCHEMBL29123537 0.81 MAPK1 (0.42) MAPK1SCN9AMAPTLMNARAB9A
SCHEMBL30006916 0.80 MAPK1 (0.51) MAPK1SCN9AMAPTFFAR1

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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