SCHEMBL8670693

SCHEMBL8670693

CC(=O)OC[C@H]1O[C@@H](NC(=O)CCCCCCCCCCC(=O)N[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 15/20 0.60
▸ CA1 P00915 15/20 0.60
▸ CA2 P00918 15/20 0.60
▸ CA9 Q16790 15/20 0.60
▸ PRKCA P17252 1/20 0.59
▸ AKT1 P31749 1/20 0.59
▸ PTK2 Q05397 1/20 0.59
▸ CA14 Q9ULX7 10/20 0.50
▸ CYP2D6 P10635 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ LMNA P02545 1/20 0.45

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
SCHEMBL2932556 0.95 PRKCA (0.55) CA12CA1CA2CA9PRKCA
SCHEMBL2926711 0.95 PRKCA (0.55) CA12CA1CA2CA9PRKCA
SCHEMBL13480230 0.95 PRKCA (0.55) CA12CA1CA2CA9PRKCA
SCHEMBL13480540 0.95 PRKCA (0.55) CA12CA1CA2CA9PRKCA
SCHEMBL9343530 0.95 PRKCA (0.55) CA12CA1CA2CA9PRKCA
SCHEMBL13707322 0.94 PRKCA (0.56) CA12CA1CA2CA9PRKCA
SCHEMBL13904009 0.93 PRKCA (0.55) CA12CA1CA2CA9PRKCA
SCHEMBL14756174 0.92 PRKCA (0.53) CA12CA1CA2CA9PRKCA
SCHEMBL16009284 0.91 CA12 (0.59) CA12CA1CA2CA9PRKCA
SCHEMBL20990363 0.90 PRKCA (0.51) CA12CA1CA2CA9PRKCA

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-5705635-A BOLAFORM GLYCOLIPID JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1998-01-06 — — US disclosed
Send feedback