SCHEMBL4612634

SCHEMBL4612634

C=C1CC(O)[C@H](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 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.82
SMN1; SMN2 Q16637 3/20 0.82
SREBF1 P36956 1/20 0.82
VDR P11473 8/20 0.75
PGR P06401 2/20 0.75
ADORA3 P0DMS8 2/20 0.75
NR1I2 O75469 1/20 0.75
ABCB11 O95342 1/20 0.75
GC P02774 1/20 0.75
RXRA P19793 1/20 0.75
CHRM3 P20309 1/20 0.75
CNR1 P21554 1/20 0.75
SLC6A2 P23975 1/20 0.75
HTR2C P28335 1/20 0.75
MAPK1 P28482 1/20 0.75
AGTR1 P30556 1/20 0.75
SLC6A4 P31645 1/20 0.75
ADRA1A P35348 1/20 0.75
PTGS2 P35354 1/20 0.75
OPRD1 P41143 1/20 0.75

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
SCHEMBL7514106 1.00 MAPT (0.82) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL4612636 1.00 MAPT (0.82) MAPTSMN1; SMN2SREBF1VDRPGR
Water SCHEMBL28232992 0.99 MAPT (0.81) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL3667100 0.94 MAPT (0.78) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL5245542 0.94 MAPT (0.78) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL5873237 0.92 MAPT (0.76) MAPTSMN1; SMN2SREBF1VDRPGR
Calcifediol Anhydrous SCHEMBL24571935 0.90 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRPGR
Calcifediol Anhydrous SCHEMBL10018928 0.90 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRPGR
Calcifediol Anhydrous SCHEMBL24102681 0.90 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRPGR
Calcifediol Anhydrous SCHEMBL22403256 0.90 MAPT (1.00) 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
EP-1207850-B1 STRIP PACK DRUGTECH CORP (US) 2008-10-22 EP disclosed
CN-1121693-A Oesteoblast growth stimulating composition containing PDGF and vitamin D ZYMOGENETICS INC (US) 1996-05-01 CN disclosed