SCHEMBL9753155

SCHEMBL9753155

CC(C)(C)OC(=O)C1Oc2ccccc2Cc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
EPHX2 P34913 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SSTR4 P31391 1/20 0.35
MAPK1 P28482 2/20 0.35
DYRK1A Q13627 1/20 0.34
IGF1R P08069 1/20 0.34
NAMPT P43490 1/20 0.34
ACSL1 P33121 1/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
HSP90AB1 P08238 1/20 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
SCHEMBL29605518 0.87 POLB (0.38) TSHRSIRT2SIRT1MAPK1
SCHEMBL9752005 0.83 MAOA (0.42) MAOAMAOBNISCHGABRA1GABRB2
SCHEMBL10400577 0.79 ALDH1A1 (0.47) TSHR
SCHEMBL10400768 0.79 MAOA (0.39) MAOAMAOBNISCHGABRA1GABRB2
SCHEMBL9751996 0.77 NISCH (0.53) MAOAMAOBNISCHGABRA1GABRB2
SCHEMBL10400578 0.77 ACSL1 (0.40) MAOAMAOBNISCHGABRA1GABRB2
SCHEMBL30783522 0.77 HSD11B1 (0.45) GABRA1GABRB2HPGDTSHRSIRT2
SCHEMBL9752907 0.77 ALDH1A1 (0.41) MAOAMAOBNISCHTSHR
SCHEMBL29629310 0.77 NISCH (0.40) MAOAMAOBNISCHGABRA1GABRB2
SCHEMBL10400814 0.75 TSHR (0.43) MAOAMAOBNISCHGABRA1GABRB2

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
WO-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed