SCHEMBL7523615

SCHEMBL7523615

CC(C)CCC[C@@H](C)[C@H]1CCC2C(=C/C=C3/C[C@@H](O)CCC3=CF)CCC[C@@]21C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 6/20 0.78
MAPT P10636 5/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
ADORA3 P0DMS8 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
CDC25A P30304 3/20 0.78
ALDH1A1 P00352 2/20 0.78
CYP3A4 P08684 2/20 0.78
ALOX15 P16050 2/20 0.78
PGR P06401 2/20 0.78
TDP1 Q9NUW8 1/20 0.78
HSPD1 P10809 1/20 0.78
HPGD P15428 1/20 0.78
TBXA2R P21731 1/20 0.78
PTGS1 P23219 1/20 0.78
GLRA1 P23415 1/20 0.78
DRD3 P35462 1/20 0.78
HSPE1 P61604 1/20 0.78
HSD17B10 Q99714 1/20 0.78

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
SCHEMBL7517937 1.00 VDR (0.78) VDRMAPTMEN1KMT2AADORA3
SCHEMBL7513820 0.92 VDR (0.67) VDRMAPTMEN1KMT2AADORA3
SCHEMBL7520200 0.91 MAPT (0.78) VDRMAPTMEN1KMT2AADORA3
SCHEMBL7518557 0.91 MEN1 (0.69) VDRMAPTMEN1KMT2AADORA3
SCHEMBL7517646 0.90 MAPT (0.79) VDRMAPTMEN1KMT2AADORA3
SCHEMBL7516053 0.88 VDR (0.73) VDRMAPTMEN1KMT2AADORA3
Cholecalciferol SCHEMBL23878716 0.88 MEN1 (1.00) VDRMAPTMEN1KMT2AADORA3
Cholecalciferol SCHEMBL20511118 0.88 MEN1 (1.00) VDRMAPTMEN1KMT2AADORA3
Cholecalciferol SCHEMBL21264875 0.88 MEN1 (1.00) VDRMAPTMEN1KMT2AADORA3
Cholecalciferol SCHEMBL13989117 0.88 MEN1 (1.00) VDRMAPTMEN1KMT2AADORA3

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
EP-1172442-A1 VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 2002-01-16 EP disclosed