SCHEMBL9813893

SCHEMBL9813893

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(F)C1(O)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
SREBF1 P36956 1/20 0.71
VDR P11473 12/20 0.70
NR1I2 O75469 1/20 0.70
ABCB11 O95342 1/20 0.70
GC P02774 1/20 0.70
PGR P06401 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
RXRA P19793 1/20 0.70
CHRM3 P20309 1/20 0.70
CNR1 P21554 1/20 0.70
SLC6A2 P23975 1/20 0.70
HTR2C P28335 1/20 0.70
MAPK1 P28482 1/20 0.70
AGTR1 P30556 1/20 0.70
SLC6A4 P31645 1/20 0.70
ADRA1A P35348 1/20 0.70
PTGS2 P35354 1/20 0.70
OPRD1 P41143 1/20 0.70

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
SCHEMBL3667100 0.88 MAPT (0.78) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL5245542 0.88 MAPT (0.78) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL10751492 0.88 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL4612636 0.87 MAPT (0.82) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL4612634 0.87 MAPT (0.82) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL7514106 0.87 MAPT (0.82) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL11226670 0.87 VDR (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL11317373 0.87 VDR (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL5305802 0.87 VDR (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL3728240 0.87 VDR (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2

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
EP-0443021-A1 NOVEL USE OF VITAMIN D COMPOUNDS TO INHIBIT REPLICATION OF THE AIDS VIRUS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-08-28 EP disclosed
WO-1991003246-A1 NOVEL USE OF VITAMIN D COMPOUNDS TO INHIBIT REPLICATION OF THE AIDS VIRUS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-03-21 WO disclosed