SCHEMBL7516053

SCHEMBL7516053

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 6/20 0.73
MAPT P10636 5/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 3/20 0.64
ALOX15 P16050 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
ADORA3 P0DMS8 3/20 0.64
CYP3A4 P08684 2/20 0.64
PGR P06401 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
CDC25A P30304 1/20 0.64
HSPD1 P10809 1/20 0.64
HPGD P15428 1/20 0.64
TBXA2R P21731 1/20 0.64
PTGS1 P23219 1/20 0.64
GLRA1 P23415 1/20 0.64
DRD3 P35462 1/20 0.64
HSPE1 P61604 1/20 0.64
HSD17B10 Q99714 1/20 0.64

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
SCHEMBL11225746 0.89 MEN1 (0.80) VDRMAPTMEN1KMT2AALDH1A1
SCHEMBL15045283 0.89 MEN1 (0.80) VDRMAPTMEN1KMT2AALDH1A1
SCHEMBL27908852 0.89 MEN1 (0.80) VDRMAPTMEN1KMT2AALDH1A1
SCHEMBL9361678 0.89 MEN1 (0.80) VDRMAPTMEN1KMT2AALDH1A1
SCHEMBL4913184 0.89 MEN1 (0.80) VDRMAPTMEN1KMT2AALDH1A1
SCHEMBL7086287 0.89 MEN1 (0.80) VDRMAPTMEN1KMT2AALDH1A1
SCHEMBL30692696 0.89 MEN1 (0.80) VDRMAPTMEN1KMT2AALDH1A1
SCHEMBL3175941 0.89 MEN1 (0.80) VDRMAPTMEN1KMT2AALDH1A1
SCHEMBL7517937 0.88 VDR (0.78) VDRMAPTMEN1KMT2AALDH1A1
SCHEMBL7523615 0.88 VDR (0.78) VDRMAPTMEN1KMT2AALDH1A1

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