SCHEMBL5305802

SCHEMBL5305802

C=C1/C(=C\C=C2CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C(F)C1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.75
MAPT P10636 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
NR1I2 O75469 1/20 0.75
ABCB11 O95342 1/20 0.75
GC P02774 1/20 0.75
PGR P06401 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
RXRA P19793 1/20 0.75
CHRM3 P20309 1/20 0.75
CNR1 P21554 1/20 0.75
SLC6A2 P23975 1/20 0.75
HTR2C P28335 1/20 0.75
MAPK1 P28482 1/20 0.75
AGTR1 P30556 1/20 0.75
SLC6A4 P31645 1/20 0.75
ADRA1A P35348 1/20 0.75
PTGS2 P35354 1/20 0.75
OPRD1 P41143 1/20 0.75
OPRK1 P41145 1/20 0.75

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
SCHEMBL11317373 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL3728240 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL11226670 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL23359104 0.92 VDR (0.77) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL9001015 0.92 VDR (0.77) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL23359105 0.92 VDR (0.77) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL5872989 0.91 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6402298 0.91 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL5873196 0.91 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6401347 0.91 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830826-A2 USE OF A COMPOUND THAT ACTIVATES A VITAMIN D RECEPTOR FOR REDUCING INTIMAL HYPERPLASIA, SMOOTH MUSCLE CELL PROLIFERATION AND RESTENOSIS IN MAMMALS ABBOTT LABORATORIES (US) 2007-09-12 EP disclosed
US-20070134286-A1 Methods for reducing intimal hyperplasia, smooth muscle cell proliferation and restenosis in mammals ABBOTT LABORATORIES 2007-06-14 US disclosed
WO-2006060765-A2 USE OF A COMPOUND THAT ACTIVATES A VITAMIN D RECEPTOR FOR REDUCING INTIMAL HYPERPLASIA, SMOOTH MUSCLE CELL PROLIFERATION AND RESTENOSIS IN MAMMALS ABBOTT LABORATORIES (US) 2006-06-08 WO disclosed
US-20050192256-A1 Methods of using vitamin D compounds in the treatment of patients undergoing hemodialysis MELNICK JOEL Z (US) 2005-09-01 US disclosed