SCHEMBL14045210

SCHEMBL14045210

CCOP(=O)(C/C=C/COc1ccc(C(=O)/C=C(\O)CF)cc1)OCC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.37
MAOA P21397 1/20 0.37
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
PLK1 P53350 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
LSS P48449 2/20 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
SCHEMBL13654099 0.86 MAOB (0.38) MAOBMAOANPC1MAPTRAB9A
SCHEMBL13654100 0.81 L3MBTL1 (0.46) MAOBMAOANPC1MAPTRAB9A
SCHEMBL13531014 0.70 KMT2A (0.51) MAOBMAOANPC1MAPTRAB9A
SCHEMBL13654072 0.70 MAOB (0.41) MAOBMAOANPC1MAPTRAB9A
SCHEMBL13529582 0.69 RAB9A (0.40) NPC1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL3176672 0.68 CYSLTR1 (0.45) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL3176676 0.68 CYSLTR1 (0.45) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL13529854 0.67 PPARA (0.43)
SCHEMBL13531068 0.67 PPARA (0.41)
SCHEMBL16198944 0.66 MAPT (0.40) MAOBNPC1MAPTRAB9AKMT2A

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-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed