SCHEMBL25224328

SCHEMBL25224328

NC[C@H]1CC[C@@](O)(CO)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
LMNA P02545 1/20 0.37
NCF1 P14598 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3112772 0.80 ESR2 (0.45) ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL1700775 0.79 NCF1 (0.38) PLGPLATLMNANCF1CYP3A4
SCHEMBL25309654 0.79 PLG (0.35) PLGPLATLMNANCF1CYP3A4
SCHEMBL25309658 0.79 PLG (0.35) PLGPLATLMNANCF1CYP3A4
SCHEMBL10635038 0.78 PLG (0.38) PLGPLATLMNANCF1CYP3A4
SCHEMBL12424264 0.76 POLB (0.46) ESR2
SCHEMBL2707090 0.76 NCF1 (0.35) PLGPLATLMNANCF1CYP3A4
SCHEMBL13240744 0.75 ESR2 (0.45) ESR2
SCHEMBL11497497 0.75 PLG (0.39) PLGPLATLMNANCF1CYP3A4
SCHEMBL12525042 0.75 ESR2 (0.45) ESR2

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
WO-2023104043-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF 杭州和正医药有限公司 2023-06-15 WO disclosed