SCHEMBL31661842

SCHEMBL31661842

O=C(O)CCC(=O)c1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.57
CES1 P23141 3/20 0.57
ACKR3 P25106 9/20 0.55
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR4A2 P43354 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL3527017 1.00 CES2 (0.57) CES2CES1ACKR3KMT2AMEN1
SCHEMBL5084694 0.85 CES2 (0.57) CES2CES1ACKR3KMT2AMEN1
SCHEMBL11582932 0.84 HTT (0.49) CES2CES1ACKR3KMT2AMEN1
SCHEMBL4707612 0.83 CES2 (0.59) CES2CES1ACKR3KDM4EALDH1A1
SCHEMBL14053155 0.82 KMT2A (0.70) ACKR3KMT2AMEN1HTTKDM4E
SCHEMBL4091424 0.82 HTT (0.62) CES2CES1ACKR3KMT2AMEN1
SCHEMBL29788741 0.82 CES2 (0.53) CES2CES1ACKR3HTTKDM4E
SCHEMBL3892255 0.82 CES2 (0.53) CES2CES1ACKR3HTTKDM4E
SCHEMBL22097313 0.82 PKM (0.49) CES2CES1ACKR3KMT2AMEN1
SCHEMBL20268270 0.82 CES2 (0.53) CES2CES1ACKR3DRD2

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
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO disclosed