SCHEMBL22877969

SCHEMBL22877969

C=C1CC/C(=C/C=C2\CCCC3(C)C2CCC3[C@H](C)CCCC(C)(C)O)CC1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.75
▸ MAPT P10636 3/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ GC P02774 1/20 0.71
▸ PGR P06401 1/20 0.71
▸ ADORA3 P0DMS8 1/20 0.71
▸ RXRA P19793 1/20 0.71
▸ CHRM3 P20309 1/20 0.71
▸ CNR1 P21554 1/20 0.71
▸ SLC6A2 P23975 1/20 0.71
▸ HTR2C P28335 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ AGTR1 P30556 1/20 0.71
▸ SLC6A4 P31645 1/20 0.71
▸ ADRA1A P35348 1/20 0.71
▸ PTGS2 P35354 1/20 0.71
▸ OPRD1 P41143 1/20 0.71
▸ OPRK1 P41145 1/20 0.71

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
SCHEMBL14299294 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL9971821 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14299295 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL9971811 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14299288 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14299290 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL9971738 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL19159234 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL9971745 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL12706969 0.96 VDR (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763419-A1 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES Anji Pharma (US) LLC (US) 2021-01-13 — — EP disclosed
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