SCHEMBL5873237

SCHEMBL5873237

C=C1C[C@@H](CO)[C@@H](O)C/C1=C/C=C1CCC[C@@]2(C)C1CC[C@@H]2[C@@H](C)CCCC(C)(C)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
SREBF1 P36956 1/20 0.76
VDR P11473 9/20 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
SCHEMBL4612634 0.92 MAPT (0.82) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL4612636 0.92 MAPT (0.82) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL7514106 0.92 MAPT (0.82) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL3667100 0.92 MAPT (0.78) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL5245542 0.92 MAPT (0.78) MAPTSMN1; SMN2SREBF1VDRNR1I2
Water SCHEMBL28232992 0.91 MAPT (0.81) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6365913 0.87 VDR (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
Calcifediol Anhydrous SCHEMBL24051907 0.86 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRNR1I2
Calcifediol Anhydrous SCHEMBL9933434 0.86 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRNR1I2
Calcifediol Anhydrous SCHEMBL24102681 0.86 MAPT (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982257-B1 Vitamin D3 derivative and its production method TEIJIN LIMITED (JP) 2006-01-03 US disclosed