SCHEMBL19009189

SCHEMBL19009189

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OCCO)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.76
POLA1 P09884 1/20 0.76
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
INPP5D Q92835 1/20 0.65
FOLH1 Q04609 2/20 0.60
ST6GAL1 P15907 3/20 0.58
NPC1L1 Q9UHC9 1/20 0.57
VDR P11473 3/20 0.56
USP2 O75604 1/20 0.56
OSBP P22059 1/20 0.55
OSBP2 Q969R2 1/20 0.55
ABCC4 O15439 1/20 0.55

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
SCHEMBL875595 1.00 CDC25A (0.76) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL17123434 1.00 CDC25A (0.76) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL13266898 0.95 CDC25A (0.75) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4323719 0.95 CDC25A (0.75) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL12695628 0.95 CDC25A (0.75) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL12086538 0.91 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL15113084 0.91 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4739096 0.91 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL19009194 0.90 CDC25A (0.73) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL484264 0.90 CDC25A (0.76) 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-20170179361-A1 THERMOELECTRIC CONVERSION ELEMENT, THERMOELECTRIC CONVERSION MODULE, METHOD FOR MANUFACTURING THERMOELECTRIC CONVERSION ELEMENT, AND METHOD FOR MANUFACTURING THERMOELECTRIC CONVERSION MODULE FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed