SCHEMBL27435307

SCHEMBL27435307

O=C(O)CCC(Cl)(Cl)Cl.[Tl]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
EGLN1 Q9GZT9 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
THRB P10828 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 5/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
FFAR3 O14843 1/20 0.36
TP53 P04637 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
SCHEMBL1868226 0.97
Hydrochloric Acid SCHEMBL11211846 0.94 LMNA (0.44) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL8352290 0.80 LMNA (0.53) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL3219051 0.78 LMNA (0.58) LMNASLC22A6ALDH1A1KMT2ATHRB
SCHEMBL571950 0.76 TSHR (0.60) LMNASLC22A6ALDH1A1KMT2ATHRB
SCHEMBL14097220 0.76 TSHR (0.60) LMNASLC22A6ALDH1A1KMT2ATHRB
SCHEMBL7819856 0.74
SCHEMBL7635329 0.74
SCHEMBL9257550 0.74
SCHEMBL2119588 0.74 ALDH1A1 (0.43) LMNAEGLN1ALKBH5SUCNR1SLC22A6

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
CN-1123579-C Vanadium catalysts, their preparation and their use in the (co) polymerization of alpha-olefins ENICHEM SPA (IT) 2003-10-08 CN disclosed