SCHEMBL5320552

SCHEMBL5320552

CC(C)c1cccc(-c2[c]ccc(OC(F)(F)F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.39
CTSA P10619 5/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KCNH2 Q12809 2/20 0.34
KCNA5 P22460 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
PRMT1 Q99873 1/20 0.33
KDM5A P29375 1/20 0.32
SLC6A4 P31645 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
F9 P00740 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
SCHEMBL7685104 0.81 GPR3 (0.39) KCNH2SCN10APRMT1
SCHEMBL21363208 0.81 PTPN5 (0.49) PTPN5CTSARXRARXRBRXRG
SCHEMBL8125229 0.79 METAP2 (0.38)
SCHEMBL9753779 0.79 RXRA (0.44) PTPN5RXRARXRBRXRGALDH1A1
SCHEMBL2662566 0.77 KDM4E (0.45) ALDH1A1GPR139SLC6A4
SCHEMBL8640563 0.77 KAT6A (0.35) ALDH1A1SLC6A4
SCHEMBL22888490 0.77 PTPN5 (0.54) PTPN5RXRARXRBRXRGALDH1A1
SCHEMBL8143605 0.75 P2RY1 (0.35) PTPN5KDM5A
SCHEMBL6299217 0.73 TRPM8 (0.31)
SCHEMBL7687621 0.72 GPR3 (0.44)

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-2007095383-A2 PRODRUGS MYRIAD GENETICS, INC. (US) 2007-08-23 WO disclosed