SCHEMBL30740684

SCHEMBL30740684

CCOc1c(C(C)(C)O)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.30

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
SCHEMBL8283932 0.83 POLB (0.34) GAAMAPTPOLB
SCHEMBL94221 0.76 POLB (0.42) GAAMAPTPOLBTSHRTHRB
SCHEMBL11912112 0.76 MAPT (0.35) GAAMAPTPOLBTSHRTHRB
Alcohol SCHEMBL2594726 0.74 GAA (0.43) GAAMAPTPOLBTSHRTHRB
SCHEMBL2443496 0.71 POLB (0.35) GAAMAPTPOLBTSHR
SCHEMBL18802765 0.69 TSHR (0.34) TSHRTHRB
SCHEMBL1671594 0.69 GAA (0.43) GAAMAPTPOLBTSHRTHRB
SCHEMBL14071570 0.67 POLB (0.38) GAAMAPTPOLBTSHRTHRB
SCHEMBL14518584 0.67 GAA (0.42) GAAMAPTPOLBTSHRTHRB
SCHEMBL2742898 0.66 MAPT (0.41) GAAMAPTPOLBTSHRTHRB

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
CN-117229281-A Di-parallel ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-15 CN disclosed