SCHEMBL28638989

SCHEMBL28638989

CCCOC(CC)c1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
POLB P06746 1/20 0.37
BCHE P06276 1/20 0.36
TYR P14679 1/20 0.36
ACHE P22303 1/20 0.36
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
JAK2 O60674 1/20 0.33
GAA P10253 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL25272226 0.90 TSHR (0.50) TSHRGABRA1GABRB2POLBLMNA
SCHEMBL28656685 0.88 TSHR (0.47) TSHRGABRA1GABRB2POLBBCHE
SCHEMBL22444462 0.85 TSHR (0.57) TSHRGABRA1GABRB2POLBBCHE
SCHEMBL28660285 0.85 TSHR (0.44) TSHRGABRA1GABRB2POLBALDH1A1
SCHEMBL22444539 0.83 TSHR (0.43) TSHRGABRA1GABRB2POLBALDH1A1
SCHEMBL28433758 0.83 TSHR (0.47) TSHRGABRA1GABRB2POLBBCHE
SCHEMBL22444475 0.82 TSHR (0.42) TSHRGABRA1GABRB2POLBALDH1A1
SCHEMBL22444504 0.82 TSHR (0.42) TSHRGABRA1GABRB2POLBALDH1A1
SCHEMBL22444748 0.82 TSHR (0.42) TSHRGABRA1GABRB2POLBALDH1A1
SCHEMBL27823899 0.82 TSHR (0.42) TSHRGABRA1GABRB2POLBALDH1A1

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-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed