SCHEMBL20370010

SCHEMBL20370010

CN(C)Cc1onc(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.40
ALOX5 P09917 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAOB P27338 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
PPARG P37231 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
SCHEMBL20370154 0.88 LMNA (0.42) EGFRALOX5PTGS1NPC1RAB9A
SCHEMBL6125174 0.87 PPARG (0.41) EGFRALOX5PTGS1PTGS2L3MBTL1
SCHEMBL6125183 0.86 CA9 (0.44) EGFRALOX5PTGS1PTGS2MAOB
SCHEMBL6128414 0.85 MAPT (0.41) NPC1SMN1; SMN2KMT2A
SCHEMBL6125173 0.84 EGFR (0.40) EGFRALOX5PTGS1PTGS2L3MBTL1
SCHEMBL19840907 0.75 MCHR1 (0.33) EGFRALOX5PTGS1PTGS2MCHR1
SCHEMBL19035744 0.75 LMNA (0.45) EGFRPTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL17409114 0.73 PPARG (0.44) L3MBTL1KMT2AMEN1MAOBPPARG
SCHEMBL19167952 0.72 CA9 (0.47) SMN1; SMN2L3MBTL1MAOB
SCHEMBL17409115 0.70 HTR2A (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1MAOB

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-2424834-B1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THEREOF HARVARD COLLEGE (US) 2018-07-11 EP disclosed
US-9688644-B2 Synthesis of Tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-27 US disclosed