SCHEMBL6295997

SCHEMBL6295997

CCCCCC(C)OC(=O)c1cc(C(=O)OC(C)CCCCC)cc(S(=O)(=O)O)c1.[CaH2]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
PRKCA P17252 2/20 0.42
PRKCD Q05655 2/20 0.42
FAAH O00519 5/20 0.40
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
S1PR3 Q99500 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAAA Q02083 1/20 0.36

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
SCHEMBL6296115 0.99 ALDH1A1 (0.49) ALDH1A1PRKCAPRKCDFAAHLCK
SCHEMBL6850439 0.97 ALDH1A1 (0.47) ALDH1A1PRKCAPRKCDFAAHLCK
SCHEMBL6856387 0.96 ALDH1A1 (0.49) ALDH1A1PRKCAPRKCDFAAHLCK
SCHEMBL6293032 0.96 PRKCA (0.46) ALDH1A1PRKCAPRKCDFAAHLCK
SCHEMBL6855749 0.93 PRKCA (0.46) ALDH1A1PRKCAPRKCDFAAHLCK
SCHEMBL6291926 0.90 PRKCA (0.43) ALDH1A1PRKCAPRKCDLCKFYN
SCHEMBL6856283 0.87 PRKCA (0.43) ALDH1A1PRKCAPRKCDLCKFYN
SCHEMBL6295996 0.85 ALDH1A1 (0.46) ALDH1A1PRKCAPRKCDFAAHCNR1
SCHEMBL6291914 0.85 PRKCA (0.60) PRKCAPRKCDLCKFYNTP53
SCHEMBL6850436 0.85 ALDH1A1 (0.46) ALDH1A1PRKCAPRKCDFAAHCNR1

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-6977129-B2 Charge control agent, toner using same developer containing the toner and developing device containing the developer RICOH COMPANY, LTD. (JP) 2005-12-20 US disclosed
US-20030162018-A1 Charge control agent, toner using same developer containing the toner and developing device containing the developer TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed