SCHEMBL5892170

SCHEMBL5892170

CCCCCCCCOC(C)[O]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.50
LPAR3 Q9UBY5 5/20 0.42
LPAR1 Q92633 4/20 0.42
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA9 Q16790 7/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
LPAR2 Q9HBW0 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL8896345 1.00 DNM1 (0.50) DNM1LPAR3LPAR1CA1CA2
SCHEMBL8045961 1.00 DNM1 (0.50) DNM1LPAR3LPAR1CA1CA2
SCHEMBL4398071 1.00 DNM1 (0.50) DNM1LPAR3LPAR1CA1CA2
SCHEMBL334992 1.00 DNM1 (0.50) DNM1LPAR3LPAR1CA1CA2
SCHEMBL4401469 1.00 DNM1 (0.50) DNM1LPAR3LPAR1CA1CA2
SCHEMBL1402431 1.00 DNM1 (0.50) DNM1LPAR3LPAR1CA1CA2
SCHEMBL3503799 1.00 DNM1 (0.50) DNM1LPAR3LPAR1CA1CA2
SCHEMBL4394151 1.00 DNM1 (0.50) DNM1LPAR3LPAR1CA1CA2
SCHEMBL1402527 0.97
SCHEMBL430719 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091261-B1 Yellow hue compound and aqueous ink for ink-jet recording system using the same MITSUI CHEMICALS, INC. (JP) 2006-08-15 US disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed
EP-1125990-A1 YELLOW COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2001-08-22 EP disclosed
US-4965376-A INTERMEDIATES FOR INSECT ATTRACTANTS BASF AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
EP-0340710-A2 3,9 Dihydroxynonine and its in the 9-OH function protected derivatives BASF Aktiengesellschaft (DE) 1989-11-08 EP disclosed
US-4877891-A INTERMEDIATES FOR E7,Z-9-DODECADIENYL ACETATE BASF AKTIENGESELLSCHAFT (DE) 1989-10-31 US disclosed
EP-0303184-A2 1,1-Dialkoxy- or 1,1-(alpha,omega-alkylenedioxy)-non-2-yn-9-ol and their OH-protected derivatives BASF Aktiengesellschaft (DE) 1989-02-15 EP disclosed
US-4604460-A ANTIBIOTICS, BACTERICIDES SHIONOGI & CO., LTD. (JP) 1986-08-05 US disclosed
US-4533730-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1985-08-06 US disclosed
US-4504659-A 1-Oxadethiacepham compounds SHIONOGI & CO., LTD. (JP) 1985-03-12 US disclosed
US-4478997-A 1-Oxadethiacepham compounds SHIONOGI & CO., LTD. (JP) 1984-10-23 US disclosed
US-4443598-A ANTIBIOTICS AND INTERMEDIATES SHIONOGI & CO., LTD. (JP) 1984-04-17 US disclosed
US-4366316-A FROM OXAZOLINOAZETIDINONE AND ACID SHIONOGI & CO., LTD. (JP) 1982-12-28 US disclosed