SCHEMBL9501037

SCHEMBL9501037

CCOC(=O)C(F)C(=O)c1ccccc1OC(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.43
ALPL P05186 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
NR1I2 O75469 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL29058680 0.85 SMN1; SMN2 (0.42) TSHRSMN1; SMN2HCRTR1HCRTR2ALDH1A1
SCHEMBL22979125 0.83 TSHR (0.62) TSHRSMN1; SMN2HCRTR1HCRTR2ALDH1A1
SCHEMBL16796952 0.80 MEN1 (0.46) TSHRSMN1; SMN2HCRTR1HCRTR2ALDH1A1
SCHEMBL12438201 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HCRTR1HCRTR2ALDH1A1LMNA
SCHEMBL19388312 0.76 ABCB1 (0.49) SMN1; SMN2HCRTR1HCRTR2ALDH1A1LMNA
SCHEMBL16796924 0.76 HCRTR1 (0.42) TSHRSMN1; SMN2HCRTR1HCRTR2ALDH1A1
SCHEMBL16796920 0.76 HCRTR1 (0.42) TSHRSMN1; SMN2HCRTR1HCRTR2ALDH1A1
SCHEMBL14613160 0.75 PKM (0.45) TSHRALDH1A1MEN1KMT2ANPC1
SCHEMBL3366337 0.74 HTT (0.45) SMN1; SMN2ALDH1A1LMNAHTTALPL
SCHEMBL7495155 0.74 NPC1 (0.56) TSHRSMN1; SMN2ALDH1A1LMNAMEN1

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
EP-0320782-B1 PLANT MALE STERILANT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-12 EP disclosed
EP-0320782-A2 Plant male sterilant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-21 EP disclosed