SCHEMBL24013145

SCHEMBL24013145

Cc1nn(C2CCCCO2)c2c(C)cc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
GAA P10253 2/20 0.41
RET P07949 5/20 0.36
ATR Q13535 2/20 0.35
HTT P42858 1/20 0.34
PDE7A Q13946 5/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ABL1 P00519 1/20 0.31

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
SCHEMBL24013144 0.88 CYP4F2 (0.47) CYP4F2CYP4A11GAARETATR
SCHEMBL24012792 0.88 CYP4F2 (0.50) CYP4F2CYP4A11GAARETATR
SCHEMBL24012457 0.80 CYP4F2 (0.46) CYP4F2CYP4A11GAARETATR
SCHEMBL27215047 0.79 CYP4F2 (0.54) CYP4F2CYP4A11GAARETATR
SCHEMBL19250505 0.77 CYP4F2 (0.41) CYP4F2CYP4A11GAARETATR
SCHEMBL19249525 0.74 ESR1 (0.42) CYP4F2CYP4A11GAARETATR
SCHEMBL26712702 0.73 CYP4F2 (0.39) CYP4F2CYP4A11GAARETATR
SCHEMBL24012790 0.72 CYP4F2 (0.47) CYP4F2CYP4A11GAARXRARXRB
SCHEMBL30242675 0.72 CYP4F2 (0.47) CYP4F2CYP4A11GAARXRARXRB
SCHEMBL19255526 0.72 CYP4F2 (0.38) CYP4F2CYP4A11GAARETATR

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-2021224320-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2021-11-11 WO disclosed