SCHEMBL31111003

SCHEMBL31111003

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD2 P14416 1/20 0.37
KDM4E B2RXH2 1/20 0.36
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDYL Q9Y232 1/20 0.35
GSK3B P49841 1/20 0.34
PTPN1 P18031 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
MAPT P10636 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
SCHEMBL31110728 0.90 CYP4F2 (0.43) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL6153836 0.83 CYP4F2 (0.51) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31111112 0.79 CYP4F2 (0.46) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31111257 0.78 CYP4F2 (0.43) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31111025 0.74 HTR1A (0.36)
SCHEMBL31110845 0.74 ATM (0.39) GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL31110668 0.74 TDP1 (0.36) CYP4F2CYP4A11GAAALDH1A1TDP1
SCHEMBL31111044 0.74 CYP4F2 (0.43) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31110697 0.74 CYP4F2 (0.43) CYP4F2CYP4A11GAAALDH1A1DRD2
SCHEMBL31111166 0.74 CYP4F2 (0.41) CYP4F2CYP4A11GAAALDH1A1DRD2

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