SCHEMBL9502912

SCHEMBL9502912

COC1(OC)OC(=O)c2c(Cl)ccc(Cl)c21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.37
TYMS P04818 1/20 0.33
TGM2 P21980 1/20 0.32
POLB P06746 1/20 0.31
CHRM5 P08912 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
PBRM1 Q86U86 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
SCHEMBL9502985 0.74 SMAD3 (0.37)
SCHEMBL9506050 0.73 CES1 (0.37) CES1TYMSTGM2GRIA1CACNG8
SCHEMBL8572771 0.67 EDNRB (0.34)
SCHEMBL8889709 0.65 NPC1 (0.33)
SCHEMBL11251392 0.64 CES1 (0.39) CES1TGM2GRIA1CACNG8PBRM1
SCHEMBL675984 0.64 CFTR (0.48) TYMSPOLB
SCHEMBL9504859 0.62 CES1 (0.36) CES1
SCHEMBL8131514 0.60 CES1 (0.36) CES1TGM2
SCHEMBL11179059 0.60 CES1 (0.43) CES1TGM2GRIA1CACNG8PBRM1
SCHEMBL542 0.60 TSHR (0.52) CES1TYMSGRIA1CACNG8

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