SCHEMBL9502953

SCHEMBL9502953

O=C1OC(Cl)(Cl)c2ccc(Cl)c(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.39
SMAD3 P84022 1/20 0.34
DHFR P00374 1/20 0.32
TYMS P04818 1/20 0.32

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 0.74 SMN1; SMN2 (0.35) CES1
SCHEMBL9506050 0.72 CES1 (0.37) CES1TYMS
SCHEMBL9504859 0.72 CES1 (0.36) CES1
SCHEMBL1209657 0.72 FTO (0.43) CES1SMAD3DHFRTYMS
SCHEMBL14481559 0.72 DHFR (0.59) SMAD3DHFRTYMS
SCHEMBL2235308 0.69 CES1 (0.39) CES1DHFRTYMS
SCHEMBL273427 0.68 FTO (0.59) SMAD3DHFRTYMS
SCHEMBL9474742 0.67 FTO (0.58) SMAD3DHFRTYMS
SCHEMBL9503899 0.64 CES1 (0.35) CES1DHFRTYMS
SCHEMBL8649408 0.63 ALDH1A1 (0.42) SMAD3

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