SCHEMBL14780854

SCHEMBL14780854

CC(C)CCCC(C)C1CCC2C3CCC4CC(c5ccccc5)(c5ccc(OC=O)cc5)CCC4(C)C3CCC12C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.53
POLA1 P09884 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
INPP5D Q92835 1/20 0.49
SRD5A1 P18405 4/20 0.45
SRD5A2 P31213 3/20 0.45
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
NPC1L1 Q9UHC9 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HPSE Q9Y251 2/20 0.42
CD4 P01730 1/20 0.42
CCR1 P32246 1/20 0.42
EPHA2 P29317 2/20 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
SCHEMBL14444885 1.00 CDC25A (0.53) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL105651 0.90 CDC25A (0.57) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL12709797 0.86 CDC25A (0.54) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL17208297 0.86 CDC25A (0.53) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL10017490 0.85 CDC25A (0.50) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL1688873 0.84 CYP2D6 (0.53) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL10054763 0.84 CYP2D6 (0.55) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL2608109 0.83 CDC25A (0.47) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL10018004 0.82 CYP2D6 (0.49) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL18410005 0.82 CDC25A (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399068-B2 Liquid crystal aligning agent, method of producing a liquid crystal alignment film and liquid crystal display device JSR CORPORATION (JP) 2013-03-19 US disclosed