SCHEMBL9840900

SCHEMBL9840900

CCCCOC(COCCO)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
CES1 P23141 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ACHE P22303 1/20 0.30

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
SCHEMBL15809387 0.84 TSHR (0.41) TSHRMEN1KMT2ATHRBHTT
SCHEMBL4145527 0.82 TSHR (0.42) TSHRMEN1KMT2ATHRBHTT
SCHEMBL10585232 0.81 CES1 (0.30) CES1
SCHEMBL28353804 0.80 TSHR (0.43) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2469279 0.79 TSHR (0.30) TSHR
SCHEMBL16353761 0.78 CES1 (0.47) TSHRMEN1KMT2ATHRBHTT
SCHEMBL7118800 0.77 TSHR (0.47) TSHRMEN1KMT2ATHRBHTT
SCHEMBL9637020 0.77 TSHR (0.56) TSHRMEN1KMT2ATHRBHTT
SCHEMBL7591304 0.76 CES1 (0.48) TSHRMEN1KMT2ATHRBHTT
SCHEMBL7753980 0.76 HSD17B10 (0.30)

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
US-4992559-A Electrochromic displays, antistatic agents, pH detectors, electrodes COOKSON GROUP PLC (GB) 1991-02-12 US disclosed
EP-0303360-A1 Electroconductive polymers COOKSON GROUP plc (GB) 1989-02-15 EP disclosed
EP-0253594-A2 Polymerisable thiophene monomers, their production and polymers prepared therefrom COOKSON GROUP plc (GB) 1988-01-20 EP disclosed