SCHEMBL6446879

SCHEMBL6446879

C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(OS(=O)(=O)O)=CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.49
GRIN2B Q13224 5/20 0.49
GPBAR1 Q8TDU6 2/20 0.49
LMNA P02545 1/20 0.49
SRD5A2 P31213 1/20 0.47
CYP17A1 P05093 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RY12 Q9H244 1/20 0.42
ABCC4 O15439 1/20 0.42
VDR P11473 1/20 0.42
ST6GAL1 P15907 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.40
FGF2 P09038 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2C Q14957 1/20 0.39

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
SCHEMBL7062550 0.82 GRIN2D (0.57) GRIN1GRIN2BGPBAR1LMNASRD5A2
SCHEMBL19260808 0.82 GRIN2D (0.57) GRIN1GRIN2BGPBAR1LMNASRD5A2
SCHEMBL4726566 0.80 CYP19A1 (0.56) GPBAR1LMNAMAPTABCC4
SCHEMBL4927255 0.80 CYP19A1 (0.56) GPBAR1LMNAMAPTABCC4
SCHEMBL11411828 0.74 GPBAR1 (0.52) GPBAR1LMNASRD5A2CYP17A1MAPT
SCHEMBL15796049 0.73 GRIN1 (0.87) GRIN1GRIN2BGPBAR1LMNAABCC4
SCHEMBL2392476 0.73 GRIN1 (0.87) GRIN1GRIN2BGPBAR1LMNAABCC4
SCHEMBL2392478 0.73 GRIN1 (0.87) GRIN1GRIN2BGPBAR1LMNAABCC4
SCHEMBL15994082 0.73 GRIN1 (0.87) GRIN1GRIN2BGPBAR1LMNAABCC4
SCHEMBL3121228 0.72 GPBAR1 (0.69) GPBAR1LMNASRD5A2KDM4EMAPT

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-20050042268-A1 Pharmaceutical composition and method for transdermal drug delivery PERRIGO ISRAEL PHARMACEUTICALS LTD. (IL) 2005-02-24 US disclosed