SCHEMBL31439983

SCHEMBL31439983

CCOC(=O)CCc1cnn2cccc(Br)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.39
TBXAS1 P24557 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL25785378 0.78 AXL (0.36) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL25786093 0.77 DRD2 (0.53) ALDH1A1LMNAHSD17B10HPGDDRD2
SCHEMBL1511313 0.74 CYP4F2 (0.69) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL31439901 0.73 DRD2 (0.35) TBXAS1DRD2DRD4DRD3
SCHEMBL31440107 0.72 NPC1 (0.45) ALDH1A1HSD17B10HPGDDRD2DRD4
SCHEMBL18371229 0.72 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL31440114 0.71 AXL (0.36) TBXAS1DRD2DRD4DRD3
SCHEMBL34471549 0.70 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL17540563 0.70 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL4033051 0.70 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed