SCHEMBL5030228

SCHEMBL5030228

O=C(OOC(=O)c1ccc(Cl)c(Cl)c1Cl)c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.39
GPR27 Q9NS67 1/20 0.36
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
ALPL P05186 1/20 0.35
LMNA P02545 2/20 0.34
F2 P00734 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CSNK2A2 P19784 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
SCHEMBL20513001 0.86 CYP3A4 (0.41) CYP3A4MAPK1TSHRGPR27KMT2A
SCHEMBL30360858 0.84 CYP3A4 (0.39) CYP3A4MAPK1TSHRGPR27KMT2A
SCHEMBL6563882 0.84 CYP3A4 (0.39) CYP3A4MAPK1TSHRGPR27KMT2A
SCHEMBL29566931 0.80 TSHR (0.63) TSHRKMT2AATMLMNAALDH1A1
SCHEMBL36590 0.80 TSHR (0.63) TSHRKMT2AATMLMNAALDH1A1
SCHEMBL23318194 0.78 STAT3 (0.38) CYP3A4MAPK1TSHRKMT2AALPL
SCHEMBL11406014 0.77 CYP3A4 (0.43) CYP3A4MAPK1TSHRKMT2ALMNA
SCHEMBL432644 0.76 TSHR (0.64) CYP3A4MAPK1TSHRGPR27KMT2A
SCHEMBL4452322 0.76 MAPK1 (0.44) CYP3A4MAPK1TSHRGPR27KMT2A
SCHEMBL29886586 0.76 TSHR (0.64) CYP3A4MAPK1TSHRGPR27KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007924-A1 SILICONE COATING COMPOSITION FOR PROTECTION FROM CATHODIC STRESS CSL Silicones Inc. (CA) 2008-12-31 EP disclosed
US-20070232749-A1 Silicone coating composition for protection from cathodic stress CSL SILICONES INC. 2007-10-04 US disclosed
WO-2007104122-A1 METHOD FOR PROTECTING PIPELINES AGAINST CORROSION CSL SILICONES INC. (CA) 2007-09-20 WO disclosed
WO-2007104121-A1 SILICONE COATING COMPOSITION FOR PROTECTION FROM CATHODIC STRESS CSL SILICONES INC. (CA) 2007-09-20 WO disclosed
US-20070218211-A1 Method for protecting pipelines against corrosion CSL SILICONES INC. 2007-09-20 US disclosed