SCHEMBL24784339

SCHEMBL24784339

CCOC(=O)CC1C(C(C)CC)CCCC1C1C[C@H]1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL11044746 0.74 KMT2A (0.37) TRPM8ALDH1A1KMT2AKDM4ETSHR
SCHEMBL3753078 0.70 MGAM (0.43) ALDH1A1KMT2AHSD17B10L3MBTL1POLB
SCHEMBL19052822 0.67 MGAM (0.36) ALDH1A1KMT2APOLB
SCHEMBL19052835 0.67 MGAM (0.36) ALDH1A1KMT2APOLB
SCHEMBL6747298 0.65 MGAM (0.34) ALDH1A1KMT2APOLB
SCHEMBL26077269 0.65 MGAM (0.40) ALDH1A1KMT2AL3MBTL1POLB
SCHEMBL24784336 0.65 ALDH1A1 (0.42) ALDH1A1KMT2AHSD17B10L3MBTL1POLB
SCHEMBL23369740 0.64 EPHX2 (0.41) ALDH1A1KMT2APOLB
SCHEMBL851434 0.64 GAA (0.43) ALDH1A1KMT2AL3MBTL1POLB
SCHEMBL1881523 0.63 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1POLB

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-3445749-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-12-21 EP disclosed