SCHEMBL105660

SCHEMBL105660

CC(C)CCCC(C)C1CCC2C3CC(OCOc4ccccc4)C4CC(Oc5ccccc5)CCC4(C)C3CCC12C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.50
POLA1 P09884 2/20 0.48
SRD5A2 P31213 6/20 0.46
SRD5A1 P18405 4/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1L1 Q9UHC9 3/20 0.43
CYP46A1 Q9Y6A2 2/20 0.43
INPP5D Q92835 1/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 2/20 0.43
ABCB1 P08183 1/20 0.42
OSBP P22059 1/20 0.42
RORC P51449 1/20 0.42
OSBP2 Q969R2 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
SCHEMBL2622077 0.95 CDC25A (0.51) CDC25APOLA1SRD5A2SRD5A1CYP2D6
SCHEMBL15940057 0.86 CYP2D6 (0.48) CDC25APOLA1SRD5A2SRD5A1CYP2D6
SCHEMBL105657 0.85 CDC25A (0.47) CDC25APOLA1SRD5A2SRD5A1CYP2D6
SCHEMBL2622076 0.84 CDC25A (0.49) CDC25APOLA1SRD5A2SRD5A1CYP2D6
SCHEMBL12607350 0.83 CDC25A (0.46) CDC25APOLA1CYP2D6CYP2C19NPC1L1
SCHEMBL2622080 0.82 CDC25A (0.45) CDC25APOLA1SRD5A2SRD5A1NPC1L1
SCHEMBL10298004 0.81 CDC25A (0.71) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL10299695 0.79 NPC1L1 (0.41) CDC25APOLA1SRD5A2SRD5A1CYP2D6
SCHEMBL12884309 0.78 CDC25A (0.43) CDC25APOLA1SRD5A2SRD5A1NPC1L1
SCHEMBL30105886 0.76 NR1H4 (0.40) CDC25APOLA1NPC1L1USP2OSBP

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-8785567-B2 Liquid crystal alignment agent, film and display element CHI MEI CORPORATION (TW) 2014-07-22 US disclosed
US-20120058262-A1 Liquid crystal alignment agent and liquid crystal alignment film formed therefore and manufacturing method thereof CHI-MEI CORPORATION 2012-03-08 US disclosed