SCHEMBL23359104

SCHEMBL23359104

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C(O)[C@@H]1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.77
MAPT P10636 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
NR1I2 O75469 1/20 0.77
ABCB11 O95342 1/20 0.77
GC P02774 1/20 0.77
PGR P06401 1/20 0.77
ADORA3 P0DMS8 1/20 0.77
RXRA P19793 1/20 0.77
CHRM3 P20309 1/20 0.77
CNR1 P21554 1/20 0.77
SLC6A2 P23975 1/20 0.77
HTR2C P28335 1/20 0.77
MAPK1 P28482 1/20 0.77
AGTR1 P30556 1/20 0.77
SLC6A4 P31645 1/20 0.77
ADRA1A P35348 1/20 0.77
PTGS2 P35354 1/20 0.77
OPRD1 P41143 1/20 0.77
OPRK1 P41145 1/20 0.77

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
SCHEMBL9001015 1.00 VDR (0.77) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL23359105 1.00 VDR (0.77) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6405360 0.92 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6403787 0.92 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL3181793 0.92 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6407006 0.92 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6401347 0.92 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL5873196 0.92 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL5872989 0.92 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6402298 0.92 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210148933-A1 METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS Pepsis Limited (GB) 2021-05-20 US claimed
US-20210148933-A1 METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS Pepsis Limited (GB) 2021-05-20 US disclosed