SCHEMBL9455463

SCHEMBL9455463

C=C1CC[C@H](OC(C)=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 5/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
SREBF1 P36956 1/20 0.75
VDR P11473 7/20 0.64
PGR P06401 2/20 0.64
ADORA3 P0DMS8 2/20 0.64
NR1I2 O75469 1/20 0.64
ABCB11 O95342 1/20 0.64
GC P02774 1/20 0.64
RXRA P19793 1/20 0.64
CHRM3 P20309 1/20 0.64
CNR1 P21554 1/20 0.64
SLC6A2 P23975 1/20 0.64
HTR2C P28335 1/20 0.64
MAPK1 P28482 1/20 0.64
AGTR1 P30556 1/20 0.64
SLC6A4 P31645 1/20 0.64
ADRA1A P35348 1/20 0.64
PTGS2 P35354 1/20 0.64
OPRD1 P41143 1/20 0.64

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
SCHEMBL13556500 1.00 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL13556522 1.00 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL11240138 1.00 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL11742680 0.96 MAPT (0.69) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL17679306 0.94 MAPT (0.66) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL13301734 0.94 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL8658871 0.93 MAPT (0.64) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL11649343 0.93 MAPT (0.64) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL8658872 0.93 MAPT (0.64) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL11742418 0.93 MAPT (0.74) 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 4 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
US-4310522-A THICKENED EGG SHELLS COMPRISING CALCIUM SOURCE AND A HYDROXY CHOLECALCIFEROL THE UPJOHN COMPANY (US) 1982-01-12 US disclosed
US-4012509-A HYDROXY-CHOLECALCIFEROLS, -TACHYSTEROLS, -ERGOCALCIFEROLS AND THEIR ACYLATES; EGG SHELL THICKNESS THE UPJOHN COMPANY (US) 1977-03-15 US disclosed