SCHEMBL24038347

SCHEMBL24038347

Cc1ccccc1Cc1ccc(CCCC(=O)NCCN2CCC(=O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRL1 P41146 1/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL24897561 0.88 LMNA (0.41) ALDH1A1GAAL3MBTL1OPRL1LMNA
SCHEMBL24897667 0.87 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1LMNAMEN1
SCHEMBL24038314 0.86 HRH3 (0.54) GAAL3MBTL1MEN1KMT2ATSHR
SCHEMBL24038262 0.86 SLC5A1 (0.47) ALDH1A1GAAL3MBTL1OPRL1LMNA
SCHEMBL26570398 0.79 SLC5A1 (0.72) SLC5A1SLC5A2
SCHEMBL24038335 0.79 SLC5A1 (0.58) SLC5A1SLC5A2
SCHEMBL24030116 0.77 SLC5A1 (0.47) MEN1KMT2ATSHRMAPTSLC5A1
SCHEMBL24897522 0.73 SLC5A1 (0.47) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL20802901 0.72 ACKR3 (0.49) ALDH1A1GAAL3MBTL1LMNAMEN1
SCHEMBL24897443 0.72 LTA4H (0.49) GAAL3MBTL1LMNAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4119550-A1 ARYL GLUCOSIDE DERIVATIVE AND USE THEREOF IN DRUG Shanghai Zheye Biotechnology Co., Ltd. (CN) 2023-01-18 EP disclosed
WO-2021227441-A1 ARYL GLUCOSIDE DERIVATIVE AND USE THEREOF IN DRUG 上海喆邺生物科技有限公司 2021-11-18 WO disclosed