SCHEMBL28901341

SCHEMBL28901341

COc1ccc(CCN(CCc2ccccc2)C(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 2/20 0.51
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LTB4R Q15722 2/20 0.50
LTB4R2 Q9NPC1 2/20 0.50
APP P05067 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
MEN1 O00255 1/20 0.48
ALOX5 P09917 1/20 0.48

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
SCHEMBL8098593 0.89 L3MBTL1 (0.58) L3MBTL1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL6993505 0.89 L3MBTL1 (0.58) L3MBTL1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL11489148 0.78 KDM4E (0.55) L3MBTL1SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL4149143 0.77 L3MBTL1 (0.55) L3MBTL1LMNAKMT2AALDH1A1LTB4R
SCHEMBL10452641 0.76 PDE4D (0.54) L3MBTL1SMN1; SMN2KMT2APLAAT3PLAAT5
SCHEMBL10956705 0.75 POLB (0.56) L3MBTL1LMNAHTTSMN1; SMN2TDP1
SCHEMBL8084814 0.74 ALOX5 (0.58) L3MBTL1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL7279472 0.74 KDM4E (0.58) L3MBTL1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL12971411 0.74 EBP (0.68) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL10526510 0.74 EBP (0.68) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E

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
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
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