SCHEMBL30524940

SCHEMBL30524940

COc1ccc(COc2cc(C)c3ccccc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PDE2A O00408 1/20 0.52
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL2005868 1.00 LMNA (0.68) LMNAL3MBTL1MAPTMEN1KMT2A
Ether SCHEMBL2009992 0.88 L3MBTL1 (0.54) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL12572410 0.87 HTT (0.50) LMNAL3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL28593997 0.79 LMNA (0.61) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL423891 0.77 L3MBTL1 (0.71) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL8273082 0.76 L3MBTL1 (0.56) LMNAL3MBTL1MAPTKMT2AKDM4E
SCHEMBL28168224 0.75 MAOB (0.53) L3MBTL1MAPTKMT2AKDM4ERAB9A
SCHEMBL7805490 0.75 KMT2A (0.53) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL3306870 0.74 PDE2A (0.50) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL28681600 0.74 PDE2A (0.44) LMNAL3MBTL1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854630-B Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2026-05-19 CN disclosed
CN-116854630-A Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2023-10-10 CN disclosed
CN-112055712-B Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2023-07-14 CN disclosed