SCHEMBL17123237

SCHEMBL17123237

CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)/C=C/C(=O)OCc5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CCC4(C)C3CCC12C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.57
▸ POLA1 P09884 1/20 0.56
▸ USP2 O75604 1/20 0.50
▸ VDR P11473 1/20 0.50
▸ FOLH1 Q04609 1/20 0.49
▸ ST6GAL1 P15907 3/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ INPP5D Q92835 1/20 0.48
▸ ST3GAL1 Q11201 2/20 0.47
▸ ST3GAL3 Q11203 1/20 0.47

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
SCHEMBL16425696 1.00 CDC25A (0.57) CDC25APOLA1USP2VDRFOLH1
SCHEMBL17123235 0.90 CDC25A (0.59) CDC25APOLA1USP2VDRFOLH1
SCHEMBL16425678 0.90 CDC25A (0.59) CDC25APOLA1USP2VDRFOLH1
SCHEMBL17124787 0.89 CDC25A (0.58) CDC25APOLA1USP2VDRFOLH1
SCHEMBL17124794 0.89 CDC25A (0.57) CDC25APOLA1USP2VDRFOLH1
SCHEMBL16425692 0.85 POLA1 (0.61) POLA1USP2
SCHEMBL16425667 0.83 CDC25A (0.58) CDC25APOLA1USP2VDRFOLH1
SCHEMBL17123244 0.83 CDC25A (0.58) CDC25APOLA1USP2VDRFOLH1
SCHEMBL17123258 0.83 CDC25A (0.72) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL16425695 0.83 CDC25A (0.72) CDC25APOLA1USP2VDRST6GAL1

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-9505981-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display device CHI MEI CORPORATION (TW) 2016-11-29 — — US disclosed
US-9505981-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display device CHI MEI CORPORATION (TW) 2016-11-29 — — US disclosed
US-20150275092-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE CHI MEI CORPORATION (TW) 2015-10-01 — — US disclosed
US-20150275092-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE CHI MEI CORPORATION (TW) 2015-10-01 — — US disclosed
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