SCHEMBL9638141

SCHEMBL9638141

CCOCC(C)OC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 1/20 0.53
PARP10 Q53GL7 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 2/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
SRD5A2 P31213 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NCOR2 Q9Y618 1/20 0.49

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
SCHEMBL9637978 1.00 MAOB (0.55) MAOBNR4A1NR4A2NR4A3L3MBTL1
SCHEMBL9636842 0.96 MAOB (0.51) MAOBNR4A1NR4A2NR4A3L3MBTL1
SCHEMBL9637987 0.90 MAOB (0.52) MAOBNR4A1NR4A2NR4A3L3MBTL1
SCHEMBL9636863 0.90 MAOB (0.52) MAOBNR4A1NR4A2NR4A3L3MBTL1
SCHEMBL9637033 0.87 TSHR (0.52) MAOBNR4A1NR4A2NR4A3L3MBTL1
SCHEMBL9636860 0.87 MAOB (0.57) MAOBNR4A1NR4A2NR4A3L3MBTL1
SCHEMBL9637023 0.86 TSHR (0.51) MAOBNR4A1NR4A2NR4A3SMN1; SMN2
SCHEMBL9940061 0.84 LMNA (0.50) LMNASMN1; SMN2ALDH1A1RAB9AADRB2
SCHEMBL9437156 0.84 MAOB (0.56) MAOBNR4A1NR4A2NR4A3L3MBTL1
SCHEMBL11606975 0.83 MAOB (0.65) MAOBNR4A1NR4A2NR4A3L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301587-B1 LIQUID CRYSTAL COMPOUNDS AND INTERMEDIATES THEREOF WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-15 EP disclosed
US-5114615-A Compounds for optical apparatus WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-19 US disclosed
EP-0301587-A1 Liquid crystal compounds and intermediates thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-01 EP disclosed