SCHEMBL6403771

SCHEMBL6403771

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
SREBF1 P36956 1/20 0.75
VDR P11473 7/20 0.69
NR1I2 O75469 1/20 0.69
ABCB11 O95342 1/20 0.69
GC P02774 1/20 0.69
PGR P06401 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
RXRA P19793 1/20 0.69
CHRM3 P20309 1/20 0.69
CNR1 P21554 1/20 0.69
SLC6A2 P23975 1/20 0.69
HTR2C P28335 1/20 0.69
MAPK1 P28482 1/20 0.69
AGTR1 P30556 1/20 0.69
SLC6A4 P31645 1/20 0.69
ADRA1A P35348 1/20 0.69
PTGS2 P35354 1/20 0.69
OPRD1 P41143 1/20 0.69

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 1.00 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL11493159 0.92 MAPT (0.64) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6407438 0.91 MAPT (0.73) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL8934472 0.91 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL11524819 0.90 MAPT (0.61) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL11524817 0.90 MAPT (0.61) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL8003899 0.90 MAPT (0.74) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL232217 0.90 MAPT (0.74) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL10034122 0.90 MAPT (0.74) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL10616160 0.90 MAPT (0.73) 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 4 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
EP-1267856-A2 TREATMENT OF ICU-ASSOCIATED HYPOCALCEMIA WITH VITAMIN D COMPOUNDS Abbott Laboratories (US) 2003-01-02 EP disclosed
US-20010036937-A1 Treatment of ICU-associated hypocalcemia with vitamin D compounds ABBOTT LABORATORIES 2001-11-01 US disclosed
WO-2001076578-A2 TREATMENT OF ICU-ASSOCIATED HYPOCALCEMIA WITH VITAMIN D COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-18 WO disclosed