SCHEMBL5961379

SCHEMBL5961379

CCC(CC(C)(C)C(=O)OCCOCCO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
RIPK1 Q13546 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 1/20 0.36
KMT2A Q03164 3/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5961381 0.92 RIPK1 (0.40) RIPK1CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL5961389 0.91 KDM4E (0.44) KDM4ECYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL17403417 0.87 CHRM2 (0.40) RIPK1CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL5961384 0.85 TSHR (0.43) KDM4ECYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL17403421 0.84 CYP1A2 (0.45) RIPK1CYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL14168896 0.83 MMP8 (0.39) KDM4ECYP1A2CYP2D6SMN1; SMN2PKM
SCHEMBL5961385 0.83 TSHR (0.45) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL5961369 0.82 PIN1 (0.46) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL18562008 0.82 DGKA (0.38) CYP2D6NPSR1KMT2AMEN1CYP3A4
SCHEMBL18119984 0.81 CHRM2 (0.39) KDM4ERIPK1CYP1A2CYP2D6SMN1; SMN2

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-8168694-B2 Ink composition, ink set, ink for inkjet recording, ink set for inkjet recording, and ink cartridge for inkjet recording FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed