SCHEMBL29255083

SCHEMBL29255083

CC(C)(C)OC(=O)N1CC(c2nnn(-c3ccc(Oc4ncc(Cl)cc4F)cc3)n2)C[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.41
KCNH2 Q12809 4/20 0.41
CPT1A P50416 2/20 0.35
CPT2 P23786 1/20 0.35
CTSL P07711 3/20 0.35
CTSS P25774 3/20 0.35
BTK Q06187 4/20 0.34
EGFR P00533 2/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PPARG P37231 1/20 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
SCHEMBL29255082 1.00 LTA4H (0.41) LTA4HKCNH2CPT1ACPT2CTSL
SCHEMBL31086450 1.00 LTA4H (0.41) LTA4HKCNH2CPT1ACPT2CTSL
SCHEMBL31086522 0.85 PRCP (0.39) LTA4HKCNH2CTSLCTSSBTK
SCHEMBL29255152 0.80 LTA4H (0.49) LTA4HKCNH2BTKEGFR
SCHEMBL13924423 0.73 CPT2 (0.43) CPT1ACPT2NR1H2NR1H3
SCHEMBL31086534 0.73 LTA4H (0.54) LTA4HKCNH2BTKPPARG
SCHEMBL29255036 0.73 LTA4H (0.54) LTA4HKCNH2BTKPPARG
SCHEMBL31086390 0.73 LTA4H (0.42) LTA4HKCNH2BTKEGFRPPARG
SCHEMBL29254754 0.73 LTA4H (0.42) LTA4HKCNH2BTKEGFRPPARG
SCHEMBL31086539 0.73 LTA4H (0.42) LTA4HKCNH2BTKEGFRPPARG

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-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed