SCHEMBL9546090

SCHEMBL9546090

C=C(C(=O)OCCC)C(F)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
THRB P10828 1/20 0.36
HCAR2 Q8TDS4 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CASP1 P29466 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
SCHEMBL9546004 0.89 TSHR (0.49) TSHRTHRBHCAR2SMN1; SMN2ALDH1A1
SCHEMBL9546128 0.84 ALDH1A1 (0.44) TSHRTHRBGAASMN1; SMN2ALDH1A1
SCHEMBL5861520 0.78 TSHR (0.42) TSHRTHRBHCAR2GAASMN1; SMN2
SCHEMBL1593009 0.78 TSHR (0.42) TSHRTHRBHCAR2GAASMN1; SMN2
SCHEMBL28599285 0.77 HCAR2 (0.39) TSHRHCAR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4653225 0.76 TSHR (0.41) TSHRTHRBHCAR2GAASMN1; SMN2
SCHEMBL8861755 0.76 TSHR (0.38) TSHRTHRBHCAR2GAASMN1; SMN2
SCHEMBL9578332 0.75 TSHR (0.33) TSHRTHRBGAASMN1; SMN2
SCHEMBL2818114 0.74 TSHR (0.40) TSHRTHRBHCAR2GAASMN1; SMN2
SCHEMBL6657047 0.74 TSHR (0.40) TSHRTHRBHCAR2GAASMN1; SMN2

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-1993023773-A1 PROCESS FOR PREPARATION OF OXYGEN PERMEABLE POLYMER MATERIAL CIBA-GEIGY AG (CH) 1993-11-25 WO disclosed