SCHEMBL31111112

SCHEMBL31111112

CCOC(=O)CCc1cccc2c1OCCC2(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.36
DRD2 P14416 1/20 0.35
MTNR1A P48039 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GSK3B P49841 1/20 0.35
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CDYL Q9Y232 1/20 0.34
LMNA P02545 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
SCHEMBL31111143 0.88 GAA (0.39) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL31110697 0.88 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL31111027 0.86 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1GAADRD2
SCHEMBL31111105 0.86 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL31111066 0.83 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL31111044 0.81 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL31110788 0.81 ALDH1A1 (0.44) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL6153836 0.80 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL31111003 0.79 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL31110668 0.78 TDP1 (0.36) CYP4F2CYP4A11ALDH1A1GAAMTNR1A

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