SCHEMBL21095124

SCHEMBL21095124

CCc1ccc(OC)c(Oc2ccc(C[C@H]3c4cc(OC)c(OC)cc4CCN3C)cc2)c1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.75
KDM4E B2RXH2 2/20 0.75
ALDH1A1 P00352 2/20 0.75
HSD17B10 Q99714 2/20 0.75
MAPK1 P28482 1/20 0.75
CYP2D6 P10635 1/20 0.75
KCNH2 Q12809 2/20 0.74
ALOX15 P16050 1/20 0.67
KMT2A Q03164 1/20 0.63
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
DRD2 P14416 1/20 0.62
DRD1 P21728 1/20 0.62

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
Dimethylgrisabine SCHEMBL30735570 0.95 LMNA (0.84) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL21095211 0.90 KCNH2 (0.64) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL29819356 0.90 KCNH2 (0.81) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL21346112 0.88 LMNA (0.93) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL21346139 0.87 LMNA (0.90) LMNAKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL12807818 0.86 LMNA (0.81) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL466528 0.86 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL466529 0.86 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL29822950 0.86 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL30816021 0.86 LMNA (1.00) 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
EP-2805954-B1 7-SUBSTITUTED HANFANGICHIN B DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF HANGZHOU BENSHENG PHARMACEUTICAL CO LTD (CN) 2019-06-19 EP disclosed