SCHEMBL25199281

SCHEMBL25199281

CCCCOC(=O)N1CC[C@H](COS(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 1/20 0.46
MMP3 P08254 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
KMT2A Q03164 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.41
FKBP1A P62942 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4448525 0.94 ALDH1A1 (0.43) ALDH1A1KDM4EMMP3MMP9MMP13
SCHEMBL4012966 0.94 ALDH1A1 (0.50) ALDH1A1KDM4EMMP3MMP9MMP13
SCHEMBL30058727 0.91 KMT2A (0.44) ALDH1A1KDM4EMMP3MMP9MMP13
SCHEMBL6408846 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EMMP3MMP9MMP13
SCHEMBL23250054 0.85 KMT2A (0.46) ALDH1A1KDM4EMMP3MMP9MMP13
SCHEMBL10385453 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2ANPSR1TP53
SCHEMBL21597017 0.84 CYP2D6 (0.50) ALDH1A1KDM4EMMP3MMP9MMP13
SCHEMBL30058693 0.84 KMT2A (0.43) ALDH1A1KDM4EMMP3MMP9MMP13
SCHEMBL12468497 0.82 MMP13 (0.44) ALDH1A1KDM4EMMP3MMP9MMP13
SCHEMBL15392230 0.82 PDK1 (0.45) ALDH1A1KDM4EMMP3MMP9MMP13

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
EP-4181909-A2 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES The Trustees Of Columbia University In The City Of New York (US) 2023-05-24 EP disclosed