SCHEMBL9889663

SCHEMBL9889663

C=C(C)C(=O)NCC(O)COCCCCOCC(O)CNC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP2 O75604 2/20 0.39
HTT P42858 1/20 0.38
PLA2G2C Q5R387 5/20 0.37
LPAR5 Q9H1C0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TLR2 O60603 2/20 0.34
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 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
SCHEMBL16038177 0.89 KDM4E (0.34) CYP1A2CYP3A4CYP2C19USP2KDM4E
SCHEMBL508267 0.85 CASR (0.31) CYP1A2CYP3A4CYP2C19USP2PLA2G2C
SCHEMBL509068 0.85 CYP1A2 (0.31) CYP1A2CYP3A4CYP2C19USP2KDM4E
SCHEMBL508173 0.85 CYP1A2 (0.31) CYP1A2CYP3A4CYP2C19USP2KDM4E
SCHEMBL509069 0.81
SCHEMBL1563493 0.81 CA1 (0.46) CYP1A2CYP3A4USP2PLA2G2CKDM4E
SCHEMBL20613893 0.80 LPAR5 (0.38) CYP1A2CYP3A4CYP2C19USP2HTT
SCHEMBL18977420 0.80 TSHR (0.34) PLA2G2CTLR2THRBMEN1KMT2A
SCHEMBL3738357 0.80 TGFBR1 (0.41) CYP2C19KDM4EALDH1A1
SCHEMBL20671289 0.77 KDM4E (0.41) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045656-B2 Black ink composition, ink set, and image forming method FUJIFILM CORPORATION (JP) 2015-06-02 US disclosed
US-20150091973-A1 INK FOR INKJET RECORDING, INK SET, IMAGE FORMING METHOD AND MAINTENANCE METHOD FUJIFILM CORPORATION (JP) 2015-04-02 US disclosed
US-8905533-B2 Ink composition and image forming method FUJIFILM CORPORATION (JP) 2014-12-09 US disclosed
US-8859636-B2 Ink composition, ink set, and image forming method FUJIFILM CORPORATION (JP) 2014-10-14 US disclosed
US-8820909-B2 Black ink composition, ink set, and image forming method FUJIFILM CORPORATION (JP) 2014-09-02 US disclosed
US-8794753-B2 Image formation method FUJIFILM CORPORATION (JP) 2014-08-05 US disclosed
US-8757786-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2014-06-24 US disclosed
EP-2484730-B1 Ink composition and image forming method FUJIFILM CORP (JP) 2014-04-30 EP disclosed
US-20130070036-A1 INK COMPOSITION, INK SET, AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2013-03-21 US disclosed
US-20130050366-A1 BLACK INK COMPOSITION, INK SET, AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2013-02-28 US disclosed
US-20120249701-A1 BLACK INK COMPOSITION, INK SET, AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-10-04 US disclosed
US-20120200651-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-08-09 US disclosed
US-20120141679-A1 INK COMPOSITION, INK SET, AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-06-07 US disclosed