SCHEMBL28528176

SCHEMBL28528176

CCOC(OCC)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 2/20 0.46
IDO1 P14902 1/20 0.43
TP53 P04637 1/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
AGXT P21549 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SLC6A2 P23975 1/20 0.40

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
SCHEMBL6774650 0.89 TSHR (0.57) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL28606866 0.81 LMNA (0.50) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL19223076 0.80 TSHR (0.48) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL8079929 0.79 TSHR (0.52) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL24769797 0.79 SLC1A3 (0.43) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL3292550 0.79 TSHR (0.43) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL1943015 0.79 TSHR (0.43) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL10590020 0.78 RCE1 (0.44) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL9658141 0.78 SLC1A3 (0.42) TSHRIDO1TP53SLC1A3SLC1A2
SCHEMBL9278231 0.78 TSHR (0.41) TSHRIDO1TP53SLC1A3SLC1A2

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-107126660-B Composition containing fluoroketone 中化蓝天集团有限公司 2021-02-05 CN disclosed