SCHEMBL29924522

SCHEMBL29924522

COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)N(C)CC2

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.81
▸ KDM4E B2RXH2 2/20 0.81
▸ ALDH1A1 P00352 2/20 0.81
▸ HSD17B10 Q99714 2/20 0.81
▸ MAPK1 P28482 1/20 0.81
▸ CYP2D6 P10635 1/20 0.81
▸ ALOX15 P16050 1/20 0.71
▸ KCNN2 Q9H2S1 4/20 0.67
▸ KCNN3 Q9UGI6 4/20 0.67
▸ KCNN1 Q92952 2/20 0.67
▸ KCNH2 Q12809 2/20 0.65
▸ DRD2 P14416 1/20 0.65
▸ DRD1 P21728 1/20 0.65
▸ BCHE P06276 1/20 0.60

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
SCHEMBL2112478 1.00 LMNA (0.81) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL29837028 1.00 LMNA (0.81) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL29748937 1.00 LMNA (0.81) LMNAKDM4EALDH1A1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL14691397 0.99 LMNA (0.79) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL30816021 0.89 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL6130845 0.89 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL29822950 0.89 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL466528 0.89 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL466529 0.89 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL8199189 0.88 DRD2 (0.71) LMNAKDM4EALDH1A1HSD17B10MAPK1

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-115073373-A Method for asymmetric synthesis of (R) -5' -methoxy labdanin 广东嘉博制药有限公司 2022-09-20 — — CN disclosed
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