SCHEMBL28986848

SCHEMBL28986848

COCc1cc(C)ncc1C(OC)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 8/20 0.37
▸ ALDH1A1 P00352 8/20 0.37
▸ HPGD P15428 7/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.35
▸ SLC6A2 P23975 4/20 0.31
▸ SLC6A4 P31645 4/20 0.31
▸ SLC6A3 Q01959 4/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CDK19 Q9BWU1 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ ATM Q13315 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL21616740 0.76 HCAR2 (0.43) LMNAKDM4EALDH1A1MAPTPOLB
SCHEMBL28476138 0.74 MAPK1 (0.41) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30340445 0.74 SIRT6 (0.41) LMNACDK8CDK19ATMPRKCE
SCHEMBL25652309 0.74 LMNA (0.44) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL2610401 0.74 LMNA (0.41) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL21222762 0.74 LMNA (0.41) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL14685854 0.73 LMNA (0.47) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL30703767 0.70 LMNA (0.38) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL16647331 0.68 LMNA (0.42) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL7618495 0.66 RXRA (0.34) —

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
CN-111886219-B Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-04-25 — — CN disclosed
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