SCHEMBL1119980

SCHEMBL1119980

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCC(c2nc(OC(=O)O)cs2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
CCR1 P32246 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CXCR3 P49682 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1120153 0.90 GAA (0.48) GAACCR1POLBKDM4ETP53
SCHEMBL1119978 0.88 GAA (0.50) GAACCR1POLBKDM4ETP53
SCHEMBL15446674 0.85 GAA (0.48) GAACCR1POLBKDM4ETP53
SCHEMBL1120045 0.85 GAA (0.47) GAACCR1POLBKDM4ETP53
SCHEMBL27879752 0.82 GAA (0.47) GAACCR1POLBKDM4ETP53
SCHEMBL1758546 0.79 CCR1 (0.54) GAACCR1POLBKDM4ETP53
SCHEMBL27863439 0.79 GAA (0.48) GAACCR1POLBKDM4ETP53
SCHEMBL121172 0.78 GAA (0.50) GAACCR1POLBKDM4ETP53
SCHEMBL20801744 0.77 GAA (0.51) GAACCR1POLBKDM4ETP53
SCHEMBL1228464 0.77 GAA (0.51) GAACCR1POLBKDM4ETP53

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
EP-2280965-B1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2012-08-29 EP disclosed
EP-2280965-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-02-09 EP disclosed