SCHEMBL31385609

SCHEMBL31385609

O=C(NCC(=O)N1CCCC1C(O)C(=O)Nc1ccc2ccccc2c1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.54
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.43
HTR1E P28566 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR3 Q99500 1/20 0.43
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL380893 0.84 PREP (0.57) PREPLMNAALDH1A1HSD17B10MEN1
SCHEMBL31385580 0.80 MEN1 (0.49) PREPLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL25288720 0.80 PREP (0.57) PREPALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL25288719 0.80 PREP (0.57) PREPALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL25288721 0.80 PREP (0.57) PREPALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL31385578 0.79 PREP (0.53) PREPLMNAALDH1A1HSD17B10TSHR
SCHEMBL31385603 0.78 PREP (0.52) PREPLMNAALDH1A1MAPTHTT
SCHEMBL31385600 0.78 CYP1A2 (0.59) PREPALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31385651 0.78 PREP (0.54) PREPLMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL31385648 0.78 PREP (0.56) PREPLMNAALDH1A1SMN1; SMN2HTT

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-2025037000-A1 NOVEL FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND MEDICAL USES THEREOF UNIVERSITEIT ANTWERPEN (BE) 2025-02-20 WO disclosed