SCHEMBL17707239

SCHEMBL17707239

CCCOCOc1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.37
NQO1 P15559 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NR5A1 Q13285 1/20 0.33
PLK1 P53350 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 2/20 0.32

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
SCHEMBL8672411 0.88 LTA4H (0.44) LTA4HCA12CA1CA2CA7
SCHEMBL7928494 0.86 LMNA (0.41) LTA4HCA12CA1CA2CA7
SCHEMBL9111654 0.85 NR5A1 (0.49) LTA4HL3MBTL1NR5A1LMNANPC1
SCHEMBL127508 0.85 LTA4H (0.50) LTA4HNQO1CA12CA1CA2
Hydrochloric Acid SCHEMBL11672969 0.83 LTA4H (0.48) LTA4HCA12CA1CA2CA7
SCHEMBL2499531 0.83 NQO1 (0.44) LTA4HNQO1CA12CA1CA2
SCHEMBL3159666 0.82 CTNNB1 (0.39) NQO1
SCHEMBL17707247 0.80 LTA4H (0.37) LTA4HNQO1CA12CA1CA2
SCHEMBL4912424 0.79
SCHEMBL3850074 0.79 ALOX5AP (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed