SCHEMBL4012106

SCHEMBL4012106

CCOC(=O)c1oc2c(Cl)cccc2c1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.51
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 1/20 0.48
AHR P35869 1/20 0.48
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL9843771 0.84 ALOX5 (0.50) ALOX5MEN1GAAKMT2ACA12
SCHEMBL19024782 0.84 KDM4E (0.64) ALOX5MEN1GAAKMT2AKDM4E
SCHEMBL6838077 0.83 ALOX5 (0.51) ALOX5MEN1GAAKMT2ACA12
SCHEMBL20480309 0.81 KDM4E (0.48) ALOX5MEN1GAAKMT2ACA12
SCHEMBL8493097 0.78 CA12 (0.66) MEN1GAAKMT2ACA12CA1
SCHEMBL6964091 0.78 KDM4E (0.71) KMT2AKDM4EAHRNPC1MAPT
SCHEMBL20480355 0.76 KDM4E (0.46) ALOX5MEN1GAAKMT2ACA12
SCHEMBL8926694 0.76 MEN1 (0.54) MEN1GAAKMT2AKDM4EMAPT
SCHEMBL4154259 0.75 MAOB (0.55) ALOX5MEN1KMT2ACA12CA1
SCHEMBL22617428 0.75 MAOB (0.61) ALOX5MEN1KMT2ARXFP1KDM4E

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
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed