SCHEMBL9504813

SCHEMBL9504813

O=C1OC(Br)(Br)c2c(Cl)c(Cl)c(Cl)c(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMAD3 P84022 1/20 0.41
MEN1 O00255 1/20 0.38
GLB1 P16278 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
CTRC Q99895 1/20 0.38
UCHL1 P09936 1/20 0.32
UCHL3 P15374 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
SCHEMBL8649408 0.77 ALDH1A1 (0.42) ALDH1A1TSHRTHRBRECQLTDP1
SCHEMBL9506064 0.76 ALDH1A1 (0.41) ALDH1A1TSHRTHRBRECQLTDP1
SCHEMBL9502985 0.71 SMAD3 (0.37) ALDH1A1TSHRTHRBRECQLTDP1
SCHEMBL9503676 0.66 SMAD3 (0.34) ALDH1A1TSHRTHRBRECQLTDP1
SCHEMBL8927641 0.62 UCHL1 (0.39) ALDH1A1TSHRUCHL1UCHL3ECE1
SCHEMBL21861 0.61 TSHR (1.00) ALDH1A1TSHRTDP1HIF1AHSD17B10
SCHEMBL11015412 0.61 ALDH1A1 (0.30) ALDH1A1TSHRTDP1HIF1AUCHL1
SCHEMBL30354042 0.61 TSHR (1.00) ALDH1A1TSHRTDP1HIF1AHSD17B10
SCHEMBL11881041 0.60 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL8995862 0.59 TSHR (0.82) ALDH1A1TSHRTDP1HIF1AHSD17B10

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