SCHEMBL28333319

SCHEMBL28333319

OC(CNc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.54
HSD11B1 P28845 1/20 0.52
ADRB2 P07550 1/20 0.49
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 1/20 0.44
ACP3 P15309 1/20 0.44
AOC3 Q16853 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL432726 0.82 KDM4E (0.65) ADRB2KDM4EL3MBTL1AOC3MAPT
SCHEMBL20095130 0.82 KDM4E (0.65) ADRB2KDM4EL3MBTL1AOC3MAPT
SCHEMBL28335667 0.81 ADRB2 (0.53) FAAHADRB2KDM4EL3MBTL1AOC3
SCHEMBL839487 0.80 LDHA (0.55) HSD11B1CNR2ACP3ALDH1A1
SCHEMBL28333299 0.80 LMNA (0.54) FAAHADRB2KDM4EL3MBTL1AOC3
SCHEMBL9768060 0.79 ADRB2 (0.53) ADRB2KDM4EALDH1A1MAPTCYP2D6
SCHEMBL28335675 0.78 MAPT (0.67) FAAHADRB2KDM4EL3MBTL1AOC3
SCHEMBL14292066 0.78 AURKA (0.55) FAAHMAPTCYP2D6
SCHEMBL18291969 0.76 AOC3 (0.58) FAAHHSD11B1KDM4ECNR2AOC3
SCHEMBL22728190 0.76 KDM4E (0.61) FAAHHSD11B1ADRB2KDM4EALDH1A1

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
CN-110550992-B Green synthesis method of amino alcohol compound under catalysis of visible light 杭州师范大学 2022-06-21 CN disclosed
CN-110550992-A green synthesis method of amino alcohol compound under catalysis of visible light UNIV HANGZHOU NORMAL 2019-12-10 CN disclosed