SCHEMBL28026546

SCHEMBL28026546

CCC(=O)n1ccc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 4/20 0.36
KDM4E B2RXH2 1/20 0.36
IDH1 O75874 1/20 0.36
IDH2 P48735 1/20 0.36
GAA P10253 1/20 0.36
PRMT6 Q96LA8 1/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL2725546 0.78 MAPT (0.44) LMNAMAPTNPC1RAB9APOLB
SCHEMBL16687029 0.77 SCN4A (0.42) LMNAMAPTNPC1RAB9APOLB
SCHEMBL23638350 0.75 NPC1 (0.37) LMNAMAPTNPC1RAB9APOLB
Methane SCHEMBL19031863 0.75 SCN4A (0.41) LMNAMAPTNPC1RAB9APOLB
SCHEMBL27257093 0.73 PRMT6 (0.36) LMNAMAPTNPC1RAB9APOLB
SCHEMBL28225622 0.72 ALDH1A1 (0.33) LMNAKDM4EAR
SCHEMBL28684123 0.69 NOS1 (0.53) MAPTNPC1RAB9APOLBIDH1
Bicarbonate SCHEMBL5617163 0.69 NPC1 (0.43) LMNAMAPTNPC1RAB9APOLB
SCHEMBL14671141 0.69 LMNA (0.52) LMNAMAPTPOLBKDM4EHTT
SCHEMBL950089 0.68 LMNA (0.45) LMNAMAPTPOLBKDM4EIDH1

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
CN-104955454-A Antagonists of chemokine receptors CHEMOCENTRYX INC 2015-09-30 CN disclosed