SCHEMBL13299841

SCHEMBL13299841

C=C1/C(=C\C=C2/CCC[C@@]3(C)C2CCC3[C@H](C)CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CC(C)(C)[Si](C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 16/20 0.50
▸ MAPT P10636 2/20 0.49
▸ ADORA3 P0DMS8 2/20 0.49
▸ SLC6A2 P23975 2/20 0.49
▸ AGTR1 P30556 2/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ GC P02774 1/20 0.49
▸ PGR P06401 1/20 0.49
▸ RXRA P19793 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL8861297 1.00 VDR (0.50) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL8861320 0.90 VDR (0.47) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL25313440 0.89 VDR (0.54) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL25313435 0.89 VDR (0.54) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL8091700 0.89 VDR (0.54) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL15083864 0.88 VDR (0.60) VDRADORA3SLC6A2NR1I2ABCB11
SCHEMBL8776002 0.88 VDR (0.53) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL12523569 0.87 VDR (0.65) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL8861153 0.84 VDR (0.47) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL8090430 0.84 MAPT (0.57) VDRMAPTADORA3SLC6A2AGTR1

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
WO-2010060197-A1 METHOD FOR SYNTHESIZING VITAMIN D ANALOGS CYTOCHROMA INC. (CA) 2010-06-03 — — WO disclosed
Send feedback