SCHEMBL11208271

SCHEMBL11208271

C=C1/C(=C\C=C2CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)CC(=O)CC(C)(C)O)C[C@@H](O)CC1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 13/20 0.78
MAPT P10636 2/20 0.75
ADORA3 P0DMS8 2/20 0.75
SLC6A2 P23975 2/20 0.75
AGTR1 P30556 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
RXRA P19793 1/20 0.75
CHRM3 P20309 1/20 0.75
CNR1 P21554 1/20 0.75
HTR2C P28335 1/20 0.75
MAPK1 P28482 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
SLC6A3 Q01959 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
SCHEMBL11206665 1.00 VDR (0.78) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL11206661 1.00 VDR (0.78) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL19988221 1.00 VDR (0.78) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL11208266 1.00 VDR (0.78) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL11208759 0.93 VDR (0.75) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL8064086 0.93 VDR (0.75) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL11209688 0.93 VDR (0.75) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL8064080 0.93 VDR (0.75) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL11204153 0.93 VDR (0.75) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL29523026 0.91 VDR (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58208228-A None JP disclosed
JP-S58208228-A ANTITUMOR AGENT KUREHA CHEM IND CO LTD 1983-12-03 JP disclosed