SCHEMBL6661848

SCHEMBL6661848

CCCCc1ccc(C)c(S)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.56
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
CYP4F11 Q9HBI6 1/20 0.44
CYP4F12 Q9HCS2 1/20 0.44
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL333653 0.84 SKP2 (0.61) SKP2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL3053597 0.83 SKP2 (0.50) SKP2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL30883022 0.83 SKP2 (0.50) SKP2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL5838115 0.81 SKP2 (0.68) SKP2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL9193547 0.79 TRPA1 (0.43) HPGDNPC1MAPK1RAB9ACYP1A2
SCHEMBL10411345 0.78 NPC1 (0.55) SKP2CYP3A4HPGDNPC1MAPK1
SCHEMBL11467020 0.78 SKP2 (0.65) SKP2CYP3A4HPGDNPC1MAPK1
SCHEMBL11366320 0.78 SKP2 (0.58) SKP2CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL10938710 0.77 SKP2 (0.53) SKP2CYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL8553254 0.77 SKP2 (0.62) SKP2CYP3A4HPGDNPC1MAPK1

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
WO-2004009612-A1 DEPROTECTION OF PHOSPHORUS IN OLIGONUCLEOTIDE SYNTHESIS ISIS PHARMACEUTICALS, INC. (US) 2004-01-29 WO disclosed