SCHEMBL6239517

SCHEMBL6239517

CCCCCCCCCCCCCCCCOC(=O)C(CCCC)CC(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.46
CA1 P00915 2/20 0.46
TSHR P16473 4/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NAAA Q02083 1/20 0.44
HCAR2 Q8TDS4 2/20 0.42
EPHX1 P07099 1/20 0.42
MAPK1 P28482 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL2440937 0.86 CYP3A4 (0.55) CA2CA1TSHRCYP3A4ATM
SCHEMBL2894772 0.85 CA2 (0.50) CA2CA1TSHRCYP3A4ATM
SCHEMBL2121081 0.84 CA2 (0.63) CA2CA1TSHRNAAAHCAR2
SCHEMBL2131976 0.84 CA2 (0.63) CA2CA1TSHRNAAAHCAR2
SCHEMBL687345 0.84 CA2 (0.63) CA2CA1TSHRNAAAHCAR2
SCHEMBL333256 0.84 CA2 (0.63) CA2CA1TSHRNAAAHCAR2
SCHEMBL2120555 0.84 CA2 (0.63) CA2CA1TSHRNAAAHCAR2
SCHEMBL15239 0.84 CA2 (0.63) CA2CA1TSHRNAAAHCAR2
SCHEMBL333450 0.84 CA2 (0.63) CA2CA1TSHRNAAAHCAR2
SCHEMBL333850 0.84 CA2 (0.63) CA2CA1TSHRNAAAHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458819-B1 SOLID PIGMENT COMPOSITION FOR PIGMENT INK, PIGMENT INK CONTAINING THE SAME, AND PROCESS FOR PREPARING THESE ORIENT CHEMICAL IND (JP) 2005-06-22 EP disclosed
US-20050020728-A1 Solid pigment composition for pigment ink pigment ink containing the same and process for preparing these ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1458819-A1 SOLID PIGMENT COMPOSITION FOR PIGMENT INK, PIGMENT INK CONTAINING THE SAME, AND PROCESS FOR PREPARING THESE Orient Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed
WO-2004011558-A1 SOLID PIGMENT COMPOSITION FOR PIGMENT INK, PIGMENT INK CONTAINING THE SAME, AND PROCESS FOR PREPARING THESE ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-05 WO disclosed