SCHEMBL31111166

SCHEMBL31111166

CCOC(=O)CCc1cccc2c1OCC(F)C2(C)C(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
DRD2 P14416 1/20 0.34
CDYL Q9Y232 1/20 0.33
NLRP3 Q96P20 1/20 0.32
GSK3B P49841 1/20 0.32
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MGAM O43451 1/20 0.31
AMY1A P0DUB6 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TBXAS1 P24557 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL31111257 0.89 CYP4F2 (0.43) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31110728 0.80 CYP4F2 (0.43) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31110697 0.78 CYP4F2 (0.43) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL6153836 0.77 CYP4F2 (0.51) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31111201 0.76 CYP4F2 (0.41) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31110918 0.76 CYP4F2 (0.43) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31111066 0.74 CYP4F2 (0.44) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31111003 0.74 CYP4F2 (0.45) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31111222 0.73 ALDH1A1 (0.47) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31110773 0.71 PDE4D (0.34) CYP4F2CYP4A11GAAALDH1A1KDM4E

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-4673141-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
WO-2024182751-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 WO disclosed