SCHEMBL7217618

SCHEMBL7217618

CC(C)(C)NC(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.44
NR5A1 Q13285 1/20 0.44
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
ALOX5 P09917 3/20 0.40
PTGS2 P35354 3/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 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
SCHEMBL7225441 0.82 NR5A2 (0.42) NR5A2NR5A1GLRA3GLRBALOX5
SCHEMBL6466602 0.75 GLRA3 (0.57) NR5A2NR5A1GLRA3GLRBALOX5
SCHEMBL14825538 0.75 GLRA3 (0.42) NR5A2NR5A1GLRA3GLRBALDH1A1
SCHEMBL14696539 0.75 POLB (0.45) POLBAPEX1ALDH1A1GAAHDAC1
SCHEMBL7223640 0.74 KCNK9 (0.55) ALOX5PTGS2POLBALDH1A1GAA
SCHEMBL14988234 0.74 GLRA3 (0.41) NR5A2NR5A1GLRA3GLRBPOLB
SCHEMBL28419884 0.74 GLRA3 (0.55) NR5A2NR5A1GLRA3GLRBALOX5
SCHEMBL7219598 0.72 GLRA3 (0.39) NR5A2NR5A1GLRA3GLRBALOX5
SCHEMBL7217357 0.71 LMNA (0.64) GAASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14696710 0.71 POLB (0.41) POLBAPEX1

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-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed