SCHEMBL17123429

SCHEMBL17123429

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ POLA1 P09884 1/20 0.50
▸ INPP5D Q92835 1/20 0.49
▸ ST6GAL1 P15907 3/20 0.46
▸ CCR1 P32246 2/20 0.46
▸ CD4 P01730 2/20 0.46
▸ FOLH1 Q04609 2/20 0.44
▸ SRD5A1 P18405 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ VDR P11473 1/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ HPSE Q9Y251 2/20 0.42
▸ NR1I2 O75469 1/20 0.42

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
SCHEMBL17123424 0.90 CYP2D6 (0.53) CDC25ACYP2D6CYP2C19POLA1INPP5D
SCHEMBL17123431 0.86 CA1 (0.51) CDC25ACYP2D6CYP2C19POLA1INPP5D
SCHEMBL17124640 0.85 CDC25A (0.63) CDC25ACYP2D6CYP2C19POLA1INPP5D
SCHEMBL17123435 0.85 CA1 (0.53) CDC25ACYP2D6CYP2C19POLA1INPP5D
SCHEMBL17124649 0.84 CDC25A (0.56) CDC25APOLA1ST6GAL1FOLH1VDR
SCHEMBL17123272 0.81 CDC25A (0.60) CDC25ACYP2D6CYP2C19POLA1INPP5D
SCHEMBL17123438 0.80 CDC25A (0.65) CDC25ACYP2D6CYP2C19POLA1INPP5D
SCHEMBL17123430 0.80 CYP2D6 (0.66) CDC25ACYP2D6CYP2C19POLA1INPP5D
SCHEMBL17123436 0.79 CDC25A (0.66) CDC25ACYP2D6CYP2C19POLA1INPP5D
SCHEMBL17123425 0.78 CYP2D6 (0.52) CDC25ACYP2D6CYP2C19POLA1INPP5D

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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