SCHEMBL24030004

SCHEMBL24030004

Cc1ccccc1Cc1ccc(CCCC(=O)NC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 10/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC1 Q13547 3/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SLC5A2 P31639 4/20 0.44
HPGD P15428 2/20 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
SCHEMBL24029783 0.87 SLC5A1 (0.46) SLC5A1ALDH1A1HDAC1HDAC6HDAC3
SCHEMBL12376676 0.82 HDAC1 (0.64) ALDH1A1HDAC1LMNAHDAC6HDAC3
SCHEMBL20803461 0.82 SLC5A1 (0.51) SLC5A1ALDH1A1LMNASLC5A2
SCHEMBL26188017 0.81 RAB9A (0.58) ALDH1A1HDAC1HDAC6HDAC3HDAC2
SCHEMBL24029909 0.81 NPC1 (0.49) SLC5A1ALDH1A1LMNATSHRSLC5A2
SCHEMBL22504841 0.80 SLC5A1 (0.64) SLC5A1ALDH1A1LMNASLC5A2
SCHEMBL21028588 0.80 SLC5A1 (0.64) SLC5A1ALDH1A1SLC5A2
SCHEMBL20803493 0.80 HDAC3 (0.62) ALDH1A1HDAC1HDAC6HDAC3HDAC2
SCHEMBL24029901 0.78 SLC5A1 (0.54) SLC5A1SLC5A2
SCHEMBL24029785 0.78 SLC5A1 (0.55) SLC5A1ALDH1A1SLC5A2

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-2021227440-A1 A CLASS OF ARYL GLUCOSIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海喆邺生物科技有限公司 2021-11-18 WO disclosed