SCHEMBL14107799

SCHEMBL14107799

C[C@@H](CCCC(C)(C)O)C1CCC2/C(=C/C=C3C[C@@H](O)C(CCO)[C@H](O)C3)CCCC21C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.77
▸ MAPT P10636 3/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ SREBF1 P36956 1/20 0.66
▸ NR1I2 O75469 1/20 0.65
▸ ABCB11 O95342 1/20 0.65
▸ GC P02774 1/20 0.65
▸ PGR P06401 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.65
▸ RXRA P19793 1/20 0.65
▸ CHRM3 P20309 1/20 0.65
▸ CNR1 P21554 1/20 0.65
▸ SLC6A2 P23975 1/20 0.65
▸ HTR2C P28335 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ AGTR1 P30556 1/20 0.65
▸ SLC6A4 P31645 1/20 0.65
▸ ADRA1A P35348 1/20 0.65
▸ PTGS2 P35354 1/20 0.65
▸ OPRD1 P41143 1/20 0.65

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
SCHEMBL29694175 0.96 VDR (0.76) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL23359143 0.94 VDR (0.81) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL23359142 0.94 VDR (0.81) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL13993786 0.91 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL15371109 0.89 VDR (0.82) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL15371115 0.89 VDR (0.82) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL19461421 0.89 VDR (0.82) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL10307536 0.89 VDR (0.82) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL10307541 0.89 VDR (0.82) VDRMAPTSMN1; SMN2SREBF1NR1I2
SCHEMBL6366456 0.88 VDR (0.79) VDRMAPTSMN1; SMN2SREBF1NR1I2

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-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 — — US disclosed
US-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 — — US disclosed
Send feedback