SCHEMBL24029909

SCHEMBL24029909

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 3/20 0.45
LTA4H P09960 2/20 0.45
ALDH1A1 P00352 2/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
PPARG P37231 1/20 0.44
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 2/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL24030004 0.81 SLC5A1 (0.47) LMNATSHRALDH1A1SLC5A1SLC5A2
SCHEMBL24897568 0.79 MEN1 (0.38) NPC1RAB9AMAPTTDP1TSHR
SCHEMBL24030017 0.76 LTA4H (0.41) NPC1RAB9ALTA4HSLC5A1SLC5A2
SCHEMBL21028847 0.76 SLC5A1 (0.66) NPC1RAB9ALMNAMAPTTSHR
SCHEMBL21028740 0.76 L3MBTL1 (0.48) NPC1LMNAMAPTCASP3SENP8
SCHEMBL19034488 0.73 SLC5A1 (0.49) LMNALTA4HSLC5A1SLC5A2KMT2A
SCHEMBL24038308 0.73 LTA4H (0.47) NPC1RAB9ATSHRLTA4HSLC5A1
SCHEMBL22995059 0.72 SLC5A1 (0.59) LTA4HALDH1A1SLC5A1SLC5A2KMT2A
SCHEMBL20803452 0.72 SLC5A1 (0.61) NPC1RAB9ALMNAMAPTLTA4H
SCHEMBL25493958 0.71 NPC1 (0.48) NPC1RAB9ALMNAMAPTCASP3

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