SCHEMBL19750799

SCHEMBL19750799

CCOC(=O)N(Cc1ccc(CO)cc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ PSMB5 P28074 2/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL13434088 0.86 POLB (0.75) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL10127537 0.84 KMT2A (0.50) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL10112093 0.83 MEN1 (0.45) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL10911381 0.74 L3MBTL1 (0.76) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL10911385 0.74 L3MBTL1 (0.76) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL30541729 0.72 LMNA (0.57) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL20306165 0.72 ALDH1A1 (0.42) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL13825505 0.71 MEN1 (0.43) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL31126839 0.71 L3MBTL1 (0.66) ALDH1A1L3MBTL1POLBLMNAHSD17B10
SCHEMBL22098310 0.70 PPARG (0.47) CYP4F2CYP4A11ADRB2ADRB1ADRB3

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-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 — — US disclosed
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