SCHEMBL5873197

SCHEMBL5873197

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@@H](C)[C@H]1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.76
MAPT P10636 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
NR1I2 O75469 1/20 0.76
ABCB11 O95342 1/20 0.76
GC P02774 1/20 0.76
PGR P06401 1/20 0.76
ADORA3 P0DMS8 1/20 0.76
RXRA P19793 1/20 0.76
CHRM3 P20309 1/20 0.76
CNR1 P21554 1/20 0.76
SLC6A2 P23975 1/20 0.76
HTR2C P28335 1/20 0.76
MAPK1 P28482 1/20 0.76
AGTR1 P30556 1/20 0.76
SLC6A4 P31645 1/20 0.76
ADRA1A P35348 1/20 0.76
PTGS2 P35354 1/20 0.76
OPRD1 P41143 1/20 0.76
OPRK1 P41145 1/20 0.76

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
SCHEMBL6401945 1.00 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL10307585 1.00 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL3181793 1.00 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6407006 1.00 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6405360 1.00 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6402298 1.00 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6403787 1.00 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL5873196 1.00 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL5872989 1.00 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6401347 1.00 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982257-B1 Vitamin D3 derivative and its production method TEIJIN LIMITED (JP) 2006-01-03 US disclosed
EP-0957088-B1 VITAMIN D3 DERIVATIVES AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 2002-12-18 EP disclosed
EP-0957088-A1 VITAMIN D3 DERIVATIVES AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1999-11-17 EP disclosed