SCHEMBL4957285

SCHEMBL4957285

C=C(C)C(=O)OCCCCCC.C=CC(=O)OCC(O)CO

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.60
KDM4E B2RXH2 1/20 0.48
DUSP3 P51452 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
USP2 O75604 1/20 0.46
DGKA P23743 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
FAAH O00519 2/20 0.41
PLA2G2C Q5R387 1/20 0.40

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
SCHEMBL11609880 0.90 TSHR (0.60) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL22398520 0.86 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4PLA2G2C
SCHEMBL5606160 0.85 TSHR (0.49) TSHRKDM4EDUSP3MEN1KMT2A
Glycerin SCHEMBL28114304 0.85 TSHR (0.77) TSHRKDM4EDUSP3MEN1KMT2A
SCHEMBL12469797 0.85 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4
SCHEMBL9624268 0.85 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4
SCHEMBL8425793 0.85 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4
SCHEMBL6887082 0.85 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4
SCHEMBL9242062 0.85 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4
SCHEMBL7198242 0.85 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4

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
US-7348369-B2 Colored fine particle dispersion, ink using the same, and ink-jet recording method FUJIFILM CORPORATION (JP) 2008-03-25 US disclosed
US-20040221767-A1 Colored fine particle dispersion, ink using the same, and ink-jet recording method FUJI PHOTO FILM CO., LTD. 2004-11-11 US disclosed