SCHEMBL2375473

SCHEMBL2375473

CC(=CC(C1CCCCC1)C(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.39
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
MMP2 P08253 2/20 0.30
CA9 Q16790 2/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL479275 0.78 EPHX1 (0.38) TUBB1EPHX1ALDH1A1CA12CA1
SCHEMBL28481948 0.77 EPHX1 (0.36) TUBB1EPHX1ALDH1A1CA12CA1
SCHEMBL10817606 0.72 SHBG (0.39) TUBB1EPHX1ALDH1A1
SCHEMBL5965708 0.72 EPHX1 (0.33) TUBB1EPHX1ALDH1A1CA12CA1
SCHEMBL28030870 0.71 ADH1C (0.34) EPHX1
SCHEMBL10816845 0.70 SMN1; SMN2 (0.39) EPHX1ALDH1A1
SCHEMBL9929712 0.70 CTSK (0.35) EPHX1ALDH1A1
SCHEMBL16874411 0.69 TUBB1 (0.39) TUBB1
SCHEMBL115296 0.66 EPHX1 (0.40) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL26407314 0.66 EPHX1 (0.40) EPHX1ALDH1A1CA12CA1CA2

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-9120948-B2 Process for producing block polymer, coated pigment and aqueous pigment dispersion DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2015-09-01 US disclosed
US-8822591-B2 Pigment dispersions DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2014-09-02 US disclosed
US-20120329940-A1 ALKOXYSILYL GROUP-CONTAINING BLOCK COPOLYMER, METHOD FOR PRODUCING THE SAME, RESIN-TREATED PIGMENT, AND PIGMENT DISPERSION KYOTO UNIVERSITY (JP) 2012-12-27 US disclosed
US-20110223529-A1 AQUEOUS PIGMENT DISPERSION AND APPLICATIONS THEREOF DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2011-09-15 US disclosed