SCHEMBL5590957

SCHEMBL5590957

CCC(P)(c1ccccc1)c1ccccc1.Cl[Pd]Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.39
TSHR P16473 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL739411 0.91 KCNN4 (0.44) KCNN4TSHRTAAR1MAPK1CYP2C19
SCHEMBL5591122 0.89 KCNN4 (0.40) KCNN4TSHRTAAR1MAPK1CYP2C19
SCHEMBL8780444 0.89 KCNN4 (0.43) KCNN4TSHRTAAR1MAPK1CYP2C19
SCHEMBL28128289 0.87 KCNN4 (0.39) KCNN4TSHRTAAR1MAPK1CYP2C19
Hydrochloric Acid SCHEMBL1254693 0.86 KCNN4 (0.41) KCNN4TSHRTAAR1MAPK1CYP2C19
SCHEMBL17082483 0.76 KIF11 (0.50)
SCHEMBL28405437 0.74 TSHR (0.46) KCNN4TSHRTAAR1MAPK1ALDH1A1
SCHEMBL11601714 0.73 CYP19A1 (0.46) TSHRMAPK1HIF1A
SCHEMBL647983 0.73 KCNN4 (0.41) KCNN4TSHRTAAR1MAPK1CYP2C19
SCHEMBL6951035 0.72 KCNN4 (0.44) KCNN4TSHRTAAR1MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007129268-A2 IMPROVED PROCESS FOR THE SYNTHESIS OF COQ10 NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-11-15 WO claimed
WO-2007129268-A2 IMPROVED PROCESS FOR THE SYNTHESIS OF COQ10 NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-11-15 WO disclosed