SCHEMBL9853785

SCHEMBL9853785

CCOC(=O)c1[c]ccc(-c2ccccc2C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A2 P23975 1/20 0.51
ERN1 O75460 1/20 0.48
TSHR P16473 2/20 0.45
ROCK2 O75116 1/20 0.44
CSF1R P07333 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
ROCK1 Q13464 1/20 0.44
SLK Q9H2G2 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL23166068 0.80 TSHR (0.51) SLC6A3SLC6A4SLC6A2ERN1TSHR
SCHEMBL8729131 0.76 TSHR (0.50) ERN1TSHRLMNAALDH1A1HSD17B10
SCHEMBL22320258 0.76 TSHR (0.61) SLC6A3SLC6A4ERN1TSHRLMNA
SCHEMBL9853783 0.75 TSHR (0.49) SLC6A3SLC6A4SLC6A2ERN1TSHR
SCHEMBL5394487 0.74 LMNA (0.39) TSHRLMNAALDH1A1HSD17B10RAB9A
SCHEMBL696234 0.73 SLC6A3 (0.66) SLC6A3SLC6A4SLC6A2TSHRROCK2
SCHEMBL28486252 0.73 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2ERN1TSHR
SCHEMBL10874384 0.73 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2TSHRROCK2
SCHEMBL30285287 0.73 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2TSHRROCK2
SCHEMBL495814 0.73 TSHR (0.84) TSHRLMNAALDH1A1HSD17B10KDM4E

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
EP-0456268-A2 Electrophotographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 1991-11-13 EP disclosed