SCHEMBL8433989

SCHEMBL8433989

CCCOC(CC(=O)OC)OCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
BIRC2 Q13490 1/20 0.33
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
CA1 P00915 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KCNA5 P22460 1/20 0.32
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL13644543 0.91 TSHR (0.37) TSHRMGAMGAASIMGAM2
SCHEMBL1883376 0.90 CA12 (0.41) TSHRCA12CA14CA2CA7
SCHEMBL1886560 0.84 TSHR (0.42) TSHRMGAMGAASIMGAM2
SCHEMBL28339170 0.83 TSHR (0.37) TSHRMGAMGAASIMGAM2
SCHEMBL11090336 0.82 NAAA (0.39) TSHRALDH1A1
SCHEMBL8432909 0.81 TSHR (0.46) TSHRHSD17B10CA12CA14CA2
SCHEMBL433836 0.80 NAAA (0.33) ALDH1A1
SCHEMBL8574175 0.80 MGAM (0.46) TSHRMGAMGAASIMGAM2
SCHEMBL13743808 0.79 TSHR (0.34) TSHRMGAMGAASIMGAM2
SCHEMBL8432269 0.78 TSHR (0.50) TSHRCA12CA14CA2CA7

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-0562819-B1 Resist coating composition JSR CORP (JP) 1999-12-01 EP disclosed
EP-0562819-A2 Resist coating composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-09-29 EP disclosed