SCHEMBL25080353

SCHEMBL25080353

CCN(CCC(=O)OCc1ccccc1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
ALOX5 P09917 1/20 0.45
KMT2A Q03164 3/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 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
SCHEMBL20204386 0.86 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1LMNAALOX5
SCHEMBL14072159 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNAALOX5
SCHEMBL23205643 0.83 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNAALOX5
SCHEMBL6940118 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL13407447 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
Hydrochloric Acid SCHEMBL7773306 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL14439282 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNAALOX5
SCHEMBL6050753 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1LMNAALOX5
SCHEMBL6050747 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1LMNAALOX5
SCHEMBL7366351 0.78 CCR6 (0.53) ALDH1A1MAPK1L3MBTL1LMNAKMT2A

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-2023023261-A1 RADIOFLUORINATED AGENTS FOR PET IMAGING SELECTIVELY TARGETING FIBROBLAST ACTIVATION PROTEIN TRUSTEES OF TUFTS COLLEGE (US) 2023-02-23 WO disclosed