SCHEMBL27763596

SCHEMBL27763596

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
IDH1 O75874 3/20 0.36
IDH2 P48735 1/20 0.36
PRMT6 Q96LA8 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
AR P10275 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
CCR1 P32246 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 3/20 0.32
TGFBR1 P36897 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
SCHEMBL951017 0.77 PRMT6 (0.39) LMNAIDH1IDH2PRMT6NPC1
SCHEMBL21165939 0.76 IDH1 (0.39) LMNAIDH1IDH2PRMT6NPC1
SCHEMBL2528824 0.73 PRMT6 (0.38) LMNAIDH1IDH2PRMT6NPC1
SCHEMBL2766709 0.70 PRMT6 (0.36) IDH1IDH2PRMT6NPC1RAB9A
SCHEMBL950089 0.68 LMNA (0.45) LMNAIDH1IDH2PRMT6AR
SCHEMBL27216386 0.68 CES1 (0.44) LMNANPC1RAB9ANPSR1MAPT
SCHEMBL26846624 0.66
SCHEMBL21166074 0.66
SCHEMBL23890516 0.66 HCRTR1 (0.30)
SCHEMBL2764434 0.66 PRMT6 (0.36) IDH1IDH2PRMT6NPC1RAB9A

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-101437921-A Electroluminescent bis-cyclometallated iridium compounds and devices made with such compounds DU PONT (US) 2009-05-20 CN disclosed