SCHEMBL6407438

SCHEMBL6407438

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
SREBF1 P36956 1/20 0.73
VDR P11473 9/20 0.67
NR1I2 O75469 1/20 0.67
ABCB11 O95342 1/20 0.67
GC P02774 1/20 0.67
PGR P06401 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
RXRA P19793 1/20 0.67
CHRM3 P20309 1/20 0.67
CNR1 P21554 1/20 0.67
SLC6A2 P23975 1/20 0.67
HTR2C P28335 1/20 0.67
MAPK1 P28482 1/20 0.67
AGTR1 P30556 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
PTGS2 P35354 1/20 0.67
OPRD1 P41143 1/20 0.67

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
SCHEMBL352251 0.91 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6403771 0.91 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL9330205 0.90 MAPT (0.71) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL8934472 0.89 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL10616160 0.88 MAPT (0.73) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL10751497 0.87 VDR (0.73) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL28789278 0.87 MAPT (0.70) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL21264751 0.87 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL21128778 0.87 MAPT (0.80) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL12372105 0.87 MAPT (0.80) 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
US-20050261256-A1 Treatment of ICU-associated hypocalcemia with vitamin D compounds DELGADO-HERRERA LETICIA 2005-11-24 US disclosed
WO-1984004527-A1 PROCESS FOR THE PREPARATION OF 1alpha,25-DIHYDROXYLATED VITAMIN D2 AND RELATED COMPOUNDS WISCONSIN ALUMNI RES FOUND (US) 1984-11-22 WO disclosed