SCHEMBL5961389

SCHEMBL5961389

CCOCCOCCOC(=O)C(C)(C)CC(CC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MMP8 P22894 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5961379 0.91 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14168896 0.87 MMP8 (0.39) KDM4EALDH1A1SMN1; SMN2CYP2D6CYP1A2
SCHEMBL5961384 0.86 TSHR (0.43) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5961369 0.86 PIN1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1CYP2D6
SCHEMBL5961381 0.85 RIPK1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1CYP2D6
SCHEMBL5961385 0.84 TSHR (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1CYP2D6
SCHEMBL17403417 0.83 CHRM2 (0.40) SMN1; SMN2KMT2AMEN1CYP2D6CYP1A2
SCHEMBL17403421 0.82 CYP1A2 (0.45) SMN1; SMN2KMT2AMEN1CYP2D6CYP1A2
SCHEMBL14586074 0.82 CHRM1 (0.50) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17403420 0.80 CYP1A2 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1CYP2D6

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