SCHEMBL11269243

SCHEMBL11269243

O=C([O-])c1ccc(Cl)cc1Cl.O=C([O-])c1ccc(Cl)cc1Cl.[Ba+2]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.63
▸ CASP1 P29466 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ MAPT P10636 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ERCC5 P28715 1/20 0.55
▸ FEN1 P39748 1/20 0.55
▸ FLT1 P17948 4/20 0.50
▸ FLT4 P35916 4/20 0.50
▸ KDR P35968 4/20 0.50
▸ SRD5A2 P31213 1/20 0.50
▸ POLB P06746 3/20 0.47
▸ THRB P10828 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.47

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
Silver SCHEMBL1151256 0.96 TSHR (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
Potassium Ion SCHEMBL1303475 0.96 TSHR (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL29653755 0.96 TSHR (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL6231168 0.96 TSHR (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL11265039 0.83 ALDH1A1 (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4446245 0.80 CA1 (0.52) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL28510712 0.80 ALDH1A1 (0.48) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL30185351 0.79 SMN1; SMN2 (0.71) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL8065539 0.79 SMN1; SMN2 (0.71) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL195020 0.79 SMN1; SMN2 (0.71) TSHRCASP1SMN1; SMN2ALDH1A1MAPK1

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
US-4313850-A METAL BIS(HALOCARBOXYLATE), OXYGENATED ORGANOTITANIUM, VANDIUM OR ZIRCONIUM COMPOUND AND AN ORGANOALUMIUM COMPOUND STANDARD OIL COMPANY (INDIANA) (US) 1982-02-02 — — US disclosed
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