SCHEMBL9502985

SCHEMBL9502985

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
THRB P10828 2/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
GLB1 P16278 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
CTRC Q99895 1/20 0.35

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
SCHEMBL9502912 0.74 CES1 (0.37)
SCHEMBL8649408 0.71 ALDH1A1 (0.42) SMAD3ALDH1A1TSHRTHRBRECQL
SCHEMBL9504813 0.71 ALDH1A1 (0.42) SMAD3ALDH1A1TSHRTHRBRECQL
SCHEMBL9506064 0.69 ALDH1A1 (0.41) SMAD3ALDH1A1TSHRTHRBRECQL
SCHEMBL9503676 0.68 SMAD3 (0.34) SMAD3ALDH1A1TSHRTHRBRECQL
SCHEMBL9509259 0.64 ALDH1A1 (0.51) SMAD3ALDH1A1TSHRTHRBRECQL
SCHEMBL4092054 0.61
SCHEMBL30882513 0.59 CA1 (0.44) ALDH1A1TSHRTDP1CYP3A4HPGD
SCHEMBL21861 0.56 TSHR (1.00) SMAD3ALDH1A1TSHRTDP1HIF1A
SCHEMBL30354042 0.56 TSHR (1.00) SMAD3ALDH1A1TSHRTDP1HIF1A

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