SCHEMBL8763298

SCHEMBL8763298

C=C(C)C(=O)OCC(O)CN(C)CC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1254411 0.85 TSHR (0.52) TSHRTHRBALDH1A1LMNAMEN1
SCHEMBL1254890 0.84 TSHR (0.55) TSHRTHRBALDH1A1LMNAKDM4E
SCHEMBL8420674 0.84 TSHR (0.47) TSHRTHRBALDH1A1LMNAMEN1
SCHEMBL6058433 0.84 TSHR (0.47) TSHRTHRBALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL1255408 0.83 TSHR (0.50) TSHRTHRBALDH1A1LMNAMAPT
Bromide SCHEMBL1252822 0.83 TSHR (0.50) TSHRTHRBALDH1A1LMNAMEN1
Iodide SCHEMBL1254896 0.83 TSHR (0.50) TSHRTHRBALDH1A1LMNAMEN1
Fluoride SCHEMBL1255369 0.83 TSHR (0.50) TSHRTHRBALDH1A1LMNAMEN1
Bromide SCHEMBL1252921 0.83 TSHR (0.53) TSHRTHRBALDH1A1LMNAHPGD
Fluoride SCHEMBL1252830 0.83 TSHR (0.53) TSHRTHRBALDH1A1LMNAHPGD

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
EP-0783589-A1 TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL Kao Corporation (JP) 1997-07-16 EP disclosed
WO-1996010093-A1 TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL KAO CORPORATION (JP) 1996-04-04 WO disclosed
US-4663061-A Metal-working oil composition KAO CORPORATION (JP) 1987-05-05 US disclosed