SCHEMBL2294848

SCHEMBL2294848

FC(F)(F)Oc1cc(CCl)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.35
MBOAT4 Q96T53 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
KDM4A O75164 1/20 0.30
KDM5A P29375 1/20 0.30
PTPN1 P18031 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL6121949 0.84 CETP (0.34) MBOAT4RXRARXRBRXRGTSHR
SCHEMBL2239493 0.82 CYP4F2 (0.39) TTRMBOAT4RXRARXRBRXRG
SCHEMBL12828088 0.82 SIGMAR1 (0.43) MBOAT4ALDH1A1TSHRSIGMAR1KCNH2
SCHEMBL9824390 0.80 EPHX1 (0.45) TTREPHX1KDM4AKDM5A
SCHEMBL10984090 0.80 KCNN4 (0.42) TTRSIGMAR1KCNH2TMEM97
SCHEMBL16822169 0.79 KDM4E (0.46) ALDH1A1TSHRSIGMAR1KCNH2TMEM97
SCHEMBL15897808 0.78 PTPRC (0.42) MBOAT4RXRARXRBRXRGKCNH2
SCHEMBL22664318 0.78 GABRA1 (0.38) TTRMBOAT4SIGMAR1KCNH2TMEM97
SCHEMBL2713113 0.77 TTR (0.51) TTRALDH1A1
SCHEMBL7472716 0.77 GAA (0.46) RXRARXRBRXRGALDH1A1TSHR

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-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO disclosed