SCHEMBL17828416

SCHEMBL17828416

CC(C)CCCC(C)C1CCC2C3CCC4CC(c5ccc(Oc6ccc7c(c6)C(=O)OC7=O)cc5)C(c5ccc(Oc6ccc7c(c6)C(=O)OC7=O)cc5)CC4(C)C3CCC12C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.48
POLA1 P09884 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
INPP5D Q92835 1/20 0.47
SRD5A1 P18405 6/20 0.45
SRD5A2 P31213 6/20 0.43
CD4 P01730 2/20 0.42
CCR1 P32246 1/20 0.42
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
NPC1L1 Q9UHC9 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL17828415 0.90 CDC25A (0.47) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL15339540 0.89 CDC25A (0.57) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL2608110 0.85 CDC25A (0.47) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL12062104 0.84 SRD5A1 (0.45) CDC25ACYP2D6CYP2C19INPP5DSRD5A1
SCHEMBL10299716 0.83 CDC25A (0.57) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL10017576 0.82 CDC25A (0.45) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL15501493 0.82 CYP2D6 (0.43) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL2622079 0.81 CDC25A (0.44) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL17425887 0.81 CDC25A (0.59) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL16743483 0.81 CYP2D6 (0.44) CDC25APOLA1CYP2D6CYP2C19INPP5D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168467-A1 LIQUID CRYSTAL ALIGNMENT AGENT AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2016-06-16 US disclosed
US-20160168467-A1 LIQUID CRYSTAL ALIGNMENT AGENT AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2016-06-16 US disclosed