SCHEMBL24329386

SCHEMBL24329386

CC(c1ccccc1)(c1ccccc1)n1cnc(CCCOS(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.36
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7084063 0.89 SIRT2 (0.43) SIRT2KDM4EUSP2ALDH1A1LMNA
SCHEMBL3976810 0.81 SIRT2 (0.45) SIRT2
SCHEMBL4389525 0.80 LMNA (0.47) SIRT2LMNA
SCHEMBL24329384 0.78 SIRT2 (0.41) SIRT2KDM4EALDH1A1
SCHEMBL24329385 0.76 SIRT2 (0.44) SIRT2KDM4EALDH1A1LMNAALOX15
SCHEMBL4391915 0.75 SIRT2 (0.42) SIRT2TSHR
SCHEMBL5439663 0.74 SIRT2 (0.42) SIRT2
SCHEMBL10914340 0.71 KDM4E (0.33) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3821641 0.70 SIRT2 (0.46) SIRT2
SCHEMBL1039638 0.70 SIRT2 (0.43) SIRT2

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-2022079428-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2022-04-21 WO disclosed