SCHEMBL7513820

SCHEMBL7513820

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 6/20 0.67
MAPT P10636 5/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
ADORA3 P0DMS8 3/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP3A4 P08684 2/20 0.67
ALOX15 P16050 2/20 0.67
PGR P06401 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
CDC25A P30304 1/20 0.67
HSPD1 P10809 1/20 0.67
HPGD P15428 1/20 0.67
TBXA2R P21731 1/20 0.67
PTGS1 P23219 1/20 0.67
GLRA1 P23415 1/20 0.67
DRD3 P35462 1/20 0.67
HSPE1 P61604 1/20 0.67
HSD17B10 Q99714 1/20 0.67

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
SCHEMBL7523615 0.92 VDR (0.78) VDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7517937 0.92 VDR (0.78) VDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7513386 0.89 MEN1 (0.85) VDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7519106 0.88 ADORA3 (0.66) VDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7517646 0.88 MAPT (0.79) VDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7516053 0.86 VDR (0.73) VDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17493699 0.84 ADORA3 (0.85) VDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17493698 0.84 ADORA3 (0.85) VDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7518616 0.84 ADORA3 (0.85) VDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28150269 0.84 ADORA3 (0.85) VDRMAPTMEN1KMT2ASMN1; SMN2

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