SCHEMBL9699996

SCHEMBL9699996

O=C(OC(=O)c1c(I)cc(I)c(I)c1I)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
F2 P00734 1/20 0.42
TSHR P16473 5/20 0.40
TPMT P51580 1/20 0.37
TDP1 Q9NUW8 5/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
PDCD1 Q15116 1/20 0.33

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
SCHEMBL9699986 0.86 TPMT (0.38) TSHRTPMTMAPK1
SCHEMBL52413 0.75 LMNA (0.70) LMNAF2TSHRTDP1TP53
Hydrogen Peroxide SCHEMBL27952375 0.75 LMNA (0.70) LMNAF2TSHRTDP1TP53
Benzene SCHEMBL27793442 0.75 LMNA (0.70) LMNAF2TSHRTDP1TP53
SCHEMBL31409214 0.73 TPMT (0.52) TSHRTPMTTDP1TP53KMT2A
SCHEMBL4277000 0.73 TPMT (0.52) TSHRTPMTTDP1TP53KMT2A
SCHEMBL1534569 0.73 LMNA (0.67) LMNAF2TSHRTDP1TP53
SCHEMBL5314071 0.73 LMNA (0.67) LMNAF2TSHRTDP1TP53
SCHEMBL2591454 0.73 LMNA (0.67) LMNAF2TSHRTDP1TP53
SCHEMBL8717537 0.73 LMNA (0.67) LMNAF2TSHRTDP1TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP disclosed