SCHEMBL10074651

SCHEMBL10074651

CCC(C)(C)C(=O)NCCCCCCNC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.43
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALDH1A2 O94788 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MEN1 O00255 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
S1PR2 O95136 4/20 0.40
S1PR1 P21453 4/20 0.40
S1PR3 Q99500 4/20 0.40
S1PR5 Q9H228 3/20 0.40
MMP8 P22894 1/20 0.40
RIPK1 Q13546 3/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL21991816 0.91 RIPK1 (0.42) EPHX1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL4546721 0.87 EPHX1 (0.53) EPHX1KMT2AALDH1A1MEN1DRD2
SCHEMBL14134865 0.87 EPHX1 (0.53) EPHX1KMT2AALDH1A1MEN1DRD2
SCHEMBL10093697 0.87 EPHX1 (0.45) EPHX1KMT2AALDH1A1ALDH1A2ALDH2
SCHEMBL13165954 0.86 EPHX1 (0.43) EPHX1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL13450761 0.85 EPHX1 (0.50) EPHX1KMT2AALDH1A1MEN1DRD2
SCHEMBL13450063 0.85 EPHX1 (0.42) EPHX1KMT2AALDH1A1ALDH1A2ALDH2
SCHEMBL13450065 0.84 KMT2A (0.45) EPHX1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL15247872 0.84 KMT2A (0.45) EPHX1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL13446740 0.83 EPHX1 (0.43) EPHX1KMT2AALDH1A1MEN1DRD2

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
US-20160327859-A1 COLORING COMPOSITION, AND CURED FILM, COLOR FILTER, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING COLOR FILTER, SOLID-STATE IMAGING DEVICE, IMAGE DISPLAY DEVICE, AND DYE MULTIMER, EACH USING THE COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2016-11-10 US disclosed
US-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed
US-20100075061-A1 INK COMPOSITION, INKJET RECORDING METHOD AND METHOD FOR PRODUCING PRINTED FORMED ARTICLE FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed