SCHEMBL22667163

SCHEMBL22667163

Cc1cc(C(C)C)n(CC(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
APAF1 O14727 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GLS O94925 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE2A O00408 2/20 0.33
CRHR1 P34998 1/20 0.33
GAA P10253 1/20 0.33
SLC34A1 Q06495 2/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15481075 0.85 LMNA (0.46) LMNAAPAF1POLBKDM4EALDH1A1
SCHEMBL22667102 0.85 APAF1 (0.32) LMNAAPAF1POLBALDH1A1GAA
SCHEMBL22667101 0.80 HDAC3 (0.32)
SCHEMBL2737300 0.79 GAA (0.46) LMNAAPAF1POLBKDM4EALDH1A1
SCHEMBL20320332 0.79 LMNA (0.56) LMNAAPAF1POLBKDM4EALDH1A1
SCHEMBL24666100 0.78 LMNA (0.44) LMNAAPAF1POLBKDM4EALDH1A1
SCHEMBL17324186 0.78 LMNA (0.40) LMNAAPAF1POLBKDM4EALDH1A1
SCHEMBL17321052 0.76 KCNJ6 (0.39) LMNAAPAF1POLBKDM4EALDH1A1
SCHEMBL21960349 0.76 POLB (0.49) LMNAAPAF1POLBKDM4EALDH1A1
SCHEMBL2737348 0.76 ADORA2B (0.42) LMNAAPAF1POLBKDM4EALDH1A1

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-2020228687-A1 4-AMINOFURAN-2 (5H) ONE DERIVATIVES, PREPARATION METHODS AND APPLICATIONS THEREOF Dongguan HEC Pesticides R&D Co., Ltd. (CN) 2020-11-19 WO disclosed