SCHEMBL8084283

SCHEMBL8084283

C=C1C(=CC=C2CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)C=CC(=O)C(CC)P(=O)(OCC)OCC)C[C@@H](O)C[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VDR P11473 11/20 0.64
ADORA3 P0DMS8 2/20 0.62
SLC6A2 P23975 2/20 0.62
NR1I2 O75469 1/20 0.62
PGR P06401 1/20 0.62
HTR1A P08908 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
PTGS2 P35354 1/20 0.62
CYP24A1 Q07973 1/20 0.57
AGTR1 P30556 1/20 0.56

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
SCHEMBL7152194 1.00 VDR (0.64) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7151289 0.94 VDR (0.65) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7152679 0.94 VDR (0.63) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7148812 0.93 VDR (0.65) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7150688 0.93 VDR (0.67) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7151896 0.93 VDR (0.65) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7150388 0.91 VDR (0.68) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7150428 0.91 VDR (0.68) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7153629 0.89 VDR (0.61) VDRADORA3SLC6A2NR1I2PGR
SCHEMBL7152639 0.88 VDR (0.68) VDRADORA3SLC6A2NR1I2PGR

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-1042335-A1 VITAMIN D DERIVATIVES WITH PHOSPHOROUS ATOMS IN THE SIDE CHAINS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-11 EP disclosed
WO-1999031112-A1 VITAMIN D DERIVATIVES WITH PHOSPHOROUS ATOMS IN THE SIDE CHAINS SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-24 WO disclosed