SCHEMBL9455462

SCHEMBL9455462

C=C1CC[C@@](O)(CC(=O)O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
SREBF1 P36956 1/20 0.68
VDR P11473 8/20 0.62
PGR P06401 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
NR1I2 O75469 1/20 0.62
ABCB11 O95342 1/20 0.62
GC P02774 1/20 0.62
RXRA P19793 1/20 0.62
CHRM3 P20309 1/20 0.62
CNR1 P21554 1/20 0.62
SLC6A2 P23975 1/20 0.62
HTR2C P28335 1/20 0.62
MAPK1 P28482 1/20 0.62
AGTR1 P30556 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
PTGS2 P35354 1/20 0.62
OPRD1 P41143 1/20 0.62

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
SCHEMBL11647330 0.93 MAPT (0.58) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL8934472 0.90 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL6403771 0.88 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL352251 0.88 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL4901818 0.86 MAPT (0.66) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL6407438 0.86 MAPT (0.73) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL10616160 0.84 MAPT (0.73) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL11247151 0.84 LMNA (0.51) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL28789278 0.84 MAPT (0.70) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL21264751 0.84 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRPGR

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
JP-5078310-A None JP disclosed
JP-H0578310-A 7,8,25-TRIHYDROXYVITAMIN D COMPOUND WISCONSIN ALUMNI RES FOUND 1993-03-30 JP disclosed