SCHEMBL13904009

SCHEMBL13904009

CC(=O)OCC1OC(NC(=O)CCCCS)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.55
▸ AKT1 P31749 1/20 0.55
▸ PTK2 Q05397 1/20 0.55
▸ CA12 O43570 14/20 0.55
▸ CA1 P00915 14/20 0.55
▸ CA2 P00918 14/20 0.55
▸ CA9 Q16790 14/20 0.55
▸ CA14 Q9ULX7 10/20 0.47
▸ CYP2D6 P10635 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ LMNA P02545 1/20 0.42

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
SCHEMBL8670693 0.93 CA12 (0.60) PRKCAAKT1PTK2CA12CA1
SCHEMBL13707322 0.89 PRKCA (0.56) PRKCAAKT1PTK2CA12CA1
SCHEMBL13480230 0.88 PRKCA (0.55) PRKCAAKT1PTK2CA12CA1
SCHEMBL2926711 0.88 PRKCA (0.55) PRKCAAKT1PTK2CA12CA1
SCHEMBL9343530 0.88 PRKCA (0.55) PRKCAAKT1PTK2CA12CA1
SCHEMBL2932556 0.88 PRKCA (0.55) PRKCAAKT1PTK2CA12CA1
SCHEMBL13480540 0.88 PRKCA (0.55) PRKCAAKT1PTK2CA12CA1
SCHEMBL16009284 0.87 CA12 (0.59) PRKCAAKT1PTK2CA12CA1
SCHEMBL13707325 0.85 PRKCA (0.53) PRKCAAKT1PTK2CA12CA1
SCHEMBL14756174 0.85 PRKCA (0.53) PRKCAAKT1PTK2CA12CA1

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
US-20090075396-A1 Biosensors UNIVERSITY OF MARYLAND OFFICE OF TECHNOLOGY COMMERCIALIZATION (US) 2009-03-19 — — US disclosed
US-20070249063-A1 Biosensors UNIVERSITY OF MARYLAND 2007-10-25 — — US disclosed
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