SCHEMBL23359142

SCHEMBL23359142

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(CO)[C@H](O)C3)CCC[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.81
▸ MAPT P10636 2/20 0.67
▸ SREBF1 P36956 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ NR1I2 O75469 1/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ GC P02774 1/20 0.66
▸ PGR P06401 1/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ RXRA P19793 1/20 0.66
▸ CHRM3 P20309 1/20 0.66
▸ CNR1 P21554 1/20 0.66
▸ SLC6A2 P23975 1/20 0.66
▸ HTR2C P28335 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ AGTR1 P30556 1/20 0.66
▸ SLC6A4 P31645 1/20 0.66
▸ ADRA1A P35348 1/20 0.66
▸ PTGS2 P35354 1/20 0.66
▸ OPRD1 P41143 1/20 0.66

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
SCHEMBL23359143 1.00 VDR (0.81) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL14107799 0.94 VDR (0.77) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL13993786 0.94 VDR (0.80) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL29694175 0.93 VDR (0.76) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL10307536 0.92 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL15371115 0.92 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL19461421 0.92 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL10307541 0.92 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL15371109 0.92 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL5682413 0.91 VDR (0.81) VDRMAPTSREBF1SMN1; SMN2NR1I2

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
Send feedback