SCHEMBL28079449

SCHEMBL28079449

CC(C)Oc1ccc(OB(O)O)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
FFAR4 Q5NUL3 2/20 0.40
PDK2 Q15119 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PTPN5 P54829 2/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
S1PR1 P21453 1/20 0.34
AR P10275 2/20 0.33
GLA P06280 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 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
SCHEMBL28079310 0.88 RXRA (0.47) RXRARXRBRXRGFFAR4PDK2
SCHEMBL3140749 0.80 PDK2 (0.41) RXRARXRBRXRGFFAR4PDK2
SCHEMBL29952840 0.80 PDK2 (0.41) RXRARXRBRXRGFFAR4PDK2
SCHEMBL5953481 0.79 L3MBTL1 (0.43) RXRARXRBRXRGPDK2ALDH1A1
SCHEMBL3140756 0.78 RXRA (0.43) RXRARXRBRXRGFFAR4PDK2
SCHEMBL7587408 0.76 AR (0.41) ALDH1A1S1PR1AR
SCHEMBL3719192 0.76 ALDH1A1 (0.43) RXRARXRBRXRGFFAR4PDK2
SCHEMBL27821346 0.74 RXRA (0.48) RXRARXRBRXRGARCTSS
SCHEMBL12896068 0.74 SLC6A4 (0.43) RXRARXRBRXRGFFAR4PDK2
SCHEMBL14198838 0.74 PDK2 (0.41) RXRARXRBRXRGFFAR4PDK2

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-104144927-B S1p receptor modulators 明治制果药业株式会社 2016-08-24 CN disclosed