SCHEMBL17124649

SCHEMBL17124649

CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)CCCOC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CCC4(C)C3CCC12C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.56
▸ POLA1 P09884 1/20 0.56
▸ USP2 O75604 1/20 0.51
▸ VDR P11473 1/20 0.51
▸ ST6GAL1 P15907 2/20 0.51
▸ FOLH1 Q04609 2/20 0.50

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
SCHEMBL16579879 0.90 CDC25A (0.58) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL17124640 0.90 CDC25A (0.63) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL17124794 0.88 CDC25A (0.57) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL17124787 0.87 CDC25A (0.58) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL17123272 0.85 CDC25A (0.60) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL17123429 0.84 CDC25A (0.50) CDC25APOLA1VDRST6GAL1FOLH1
SCHEMBL8902786 0.83 CDC25A (0.76) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL17828421 0.82 CDC25A (0.58) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL10628488 0.82 CDC25A (0.63) CDC25APOLA1USP2VDRST6GAL1
SCHEMBL10625785 0.82 CDC25A (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274969-A1 LIQUID CRYSTAL ALIGNMENT AGENT AND USES THEREOF CHI MEI CORPORATION (TW) 2015-10-01 — — US disclosed
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