Seocalcitol

Seocalcitol

SCHEMBL5003622

C=C1/C(=C\C=C2/CCCC3(C)C2CCC3C(C)/C=C/C=C/C(O)(CC)CC)CC(O)CC1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

VDR

The experimentally established mechanism targets of Seocalcitol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR known ✓ P11473 13/20 1.00
ADORA3 P0DMS8 3/20 0.70
SLC6A2 P23975 3/20 0.70
NR1I2 O75469 2/20 0.70
PGR P06401 2/20 0.70
SLC6A4 P31645 2/20 0.70
ADRA1A P35348 2/20 0.70
PTGS2 P35354 2/20 0.70
HTR1A P08908 1/20 0.70
MAPT P10636 2/20 0.64
AGTR1 P30556 2/20 0.64
ABCB11 O95342 1/20 0.64
GC P02774 1/20 0.64
RXRA P19793 1/20 0.64
CHRM3 P20309 1/20 0.64
CNR1 P21554 1/20 0.64
HTR2C P28335 1/20 0.64
MAPK1 P28482 1/20 0.64
OPRD1 P41143 1/20 0.64
OPRK1 P41145 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
Seocalcitol SCHEMBL12028975 1.00 VDR (1.00) VDRADORA3SLC6A2NR1I2PGR
Seocalcitol SCHEMBL29836063 1.00 VDR (1.00) VDRADORA3SLC6A2NR1I2PGR
Seocalcitol SCHEMBL14146667 1.00 VDR (1.00) VDRADORA3SLC6A2NR1I2PGR
Seocalcitol SCHEMBL1229451 1.00 VDR (1.00) VDRADORA3SLC6A2NR1I2PGR
Seocalcitol SCHEMBL5003623 1.00 VDR (1.00) VDRADORA3SLC6A2NR1I2PGR
Seocalcitol SCHEMBL24066895 1.00 VDR (1.00) VDRADORA3SLC6A2NR1I2PGR
Seocalcitol SCHEMBL3791 1.00 VDR (1.00) VDRADORA3SLC6A2NR1I2PGR
Seocalcitol SCHEMBL8219733 1.00 VDR (1.00) VDRADORA3SLC6A2NR1I2PGR
Seocalcitol SCHEMBL3790 1.00 VDR (1.00) VDRADORA3SLC6A2NR1I2PGR
Seocalcitol SCHEMBL14112510 1.00 VDR (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed