SCHEMBL3720786

SCHEMBL3720786

CC(C)COc1ccc(O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.45
ADRB1 P08588 1/20 0.45
MAOB P27338 2/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 1/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
PDK2 Q15119 1/20 0.40
XDH P47989 1/20 0.40
MEN1 O00255 3/20 0.38
ACACB O00763 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17540921 0.86 KMT2A (0.46) ADRB2ADRB1MAOBKMT2ASMN1; SMN2
SCHEMBL27460759 0.83 SIGMAR1 (0.45) ADRB2ADRB1MAOBKMT2ASMN1; SMN2
SCHEMBL1083387 0.83 ADRB2 (0.61) ADRB2ADRB1MAOBKMT2AHSD17B10
SCHEMBL28221888 0.81 ADRB2 (0.47) ADRB2ADRB1MAOBKMT2ASMN1; SMN2
SCHEMBL3720155 0.80 ADRB2 (0.46) ADRB2ADRB1KMT2ASMN1; SMN2MAOA
SCHEMBL339174 0.79 PDK2 (0.50) ADRB2ADRB1MAOBKMT2AMAOA
SCHEMBL2221195 0.79 NQO1 (0.50) KMT2ATSHRHSD17B10MAPTHPGD
SCHEMBL2608847 0.79 MAPT (0.43) MAOBKMT2ASMN1; SMN2MAOATSHR
SCHEMBL19962879 0.79 MAOB (0.41) MAOBKMT2ASMN1; SMN2MAOAMAPT
SCHEMBL3721637 0.79 ADRB2 (0.45) ADRB2ADRB1MAPTPOLBHPGD

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed