SCHEMBL9504859

SCHEMBL9504859

CCOC1(OCC)OC(=O)c2c1ccc(Cl)c2Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9506144 0.84 SMN1; SMN2 (0.35) CES1SMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL9502953 0.72 CES1 (0.39) CES1
SCHEMBL9502973 0.71 SMAD3 (0.35) ALDH1A1MAPK1HSD17B10
SCHEMBL9506732 0.69 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL14481559 0.67 DHFR (0.59) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1209657 0.64 FTO (0.43) CES1ALDH1A1HTTHSD17B10
SCHEMBL273427 0.63 FTO (0.59) ALDH1A1MAPK1HTTHSD17B10
SCHEMBL9502912 0.62 CES1 (0.37) CES1
SCHEMBL9474742 0.62 FTO (0.58) ALDH1A1MAPK1HTTHSD17B10
SCHEMBL8775757 0.61 SMN1; SMN2 (0.35) SMN1; SMN2

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-0377406-B1 PRESSURE-SENSITIVE OR HEAT-SENSITIVE RECORDING MATERIAL CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
US-5013707-A Pressure- or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
EP-0377406-A1 Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY AG (CH) 1990-07-11 EP disclosed