SCHEMBL9546087

SCHEMBL9546087

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 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
CES2 O00748 1/20 0.31
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

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
SCHEMBL9546001 0.89 TSHR (0.49) TSHRTHRBHCAR2SMN1; SMN2ALDH1A1
SCHEMBL15156752 0.86 TSHR (0.59) TSHRHCAR2ALDH1A1LMNACES2
SCHEMBL9546127 0.84 ALDH1A1 (0.44) TSHRTHRBGAAALDH1A1LMNA
SCHEMBL9546123 0.81 TSHR (0.37) TSHRTHRBHCAR2GAASMN1; SMN2
SCHEMBL9546008 0.78 HTT (0.45)
SCHEMBL27876308 0.78 TSHR (0.42) TSHRTHRBHCAR2GAASMN1; SMN2
SCHEMBL3478021 0.77 TSHR (0.45) TSHRTHRBHCAR2GAASMN1; SMN2
SCHEMBL303392 0.76 TSHR (0.41) TSHRTHRBHCAR2GAASMN1; SMN2
SCHEMBL4096843 0.75 TSHR (0.44) TSHRTHRBHCAR2GAASMN1; SMN2
SCHEMBL2468506 0.75 ALDH1A1 (0.42) ALDH1A1

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 3 patents. 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
US-5235013-A Copolymerizing an alkene of 6-10 carbons having one double bond and a side chain methyl group and an acrylic or fluoroacrylic ester CIBA-GEIGY CORPORATION 1993-08-10 US disclosed
EP-0478261-A2 Process for producing oxygen-permeable polymer CIBA-GEIGY AG (CH) 1992-04-01 EP disclosed