SCHEMBL13865792

SCHEMBL13865792

CCCCCCCCCCCC[N+]1(CC(=O)O)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 7/20 0.38
PPARA Q07869 7/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
PTPN1 P18031 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE4A P27815 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13865791 0.83 GPR84 (0.41) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL13865790 0.83 GPR84 (0.41) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL13865789 0.83 GPR84 (0.41) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL11515636 0.82 CDC25A (0.41) TSHRCDC25A
SCHEMBL4071466 0.82 CDC25A (0.41) TSHRCDC25A
SCHEMBL1961599 0.82 CDC25A (0.41) TSHRCDC25A
SCHEMBL3275678 0.82 CDC25A (0.41) TSHRCDC25A
SCHEMBL10537448 0.82 CDC25A (0.41) TSHRCDC25A
Hydrochloric Acid SCHEMBL14060808 0.81 BBOX1 (0.40) GPR84PPARGPPARDPPARAHDAC11
Fluoride Ion SCHEMBL184629 0.80 CDC25A (0.41) TSHRCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527683-B2 Ink for ink-jet recording, ink set, and ink-jet recording method FUJIFILM CORPORATION (JP) 2009-05-05 US disclosed
US-7520928-B2 Black ink composition, ink set containing the same, and ink jet recording method FUJIFILM CORPORATION (JP) 2009-04-21 US disclosed
US-7438752-B2 Ink composition and recording method FUJIFILM CORPORATION (JP) 2008-10-21 US disclosed
US-20080043079-A1 Black Ink Composition, Ink Set Containing the Same, and Ink Jek Recording Method FUJIFILM CORPORATION (JP) 2008-02-21 US disclosed
US-20070176992-A1 Ink composition and recording method FUJIFILM CORPORATION (JP) 2007-08-02 US disclosed