SCHEMBL11215899

SCHEMBL11215899

C(OCC1CO1)C1CO1.CCC(F)C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
GLA P06280 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
SCHEMBL1130097 0.77 TSHR (0.50) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL28416835 0.75 TSHR (0.59) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL1218125 0.74
SCHEMBL4217261 0.73 SMN1; SMN2 (0.54) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL3236704 0.72 TSHR (0.54) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL28359120 0.72 TSHR (0.39) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL28362812 0.72 TSHR (0.39) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL9131970 0.72
SCHEMBL1345524 0.72
SCHEMBL1022556 0.72

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57000181-A None JP disclosed
JP-S57181-A INSULATION PAINT NITTO ELECTRIC IND CO LTD 1982-01-05 JP disclosed