SCHEMBL4624906

SCHEMBL4624906

O=CNCc1cccc2c1-c1ccccc1C2CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH7 P40394 1/20 0.37
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
PPIA P62937 2/20 0.32
HTR2A P28223 1/20 0.31
GBA1 P04062 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL8092638 0.70 HNF4A (0.50) KDM4ELMNAGAACYP2C9ALOX15
SCHEMBL9449421 0.69 HTR2A (0.42) HTR2AHRH3
SCHEMBL30595834 0.69 ADH1B (0.62) ADH1BADH1CADH1AADH7KDM4E
SCHEMBL261028 0.69 HTR2A (0.58) CYP1A2HTR2AHRH3
SCHEMBL8763191 0.69 ADH1B (0.62) ADH1BADH1CADH1AADH7KDM4E
SCHEMBL29639019 0.69 HTR2A (0.58) CYP1A2HTR2AHRH3
SCHEMBL27583741 0.68 KEAP1 (0.49) KDM4ELMNACYP3A4HPGDHTR2A
SCHEMBL4624902 0.68 ALDH1A1 (0.39) KDM4ECYP1A2CYP3A4GAACYP2C9
SCHEMBL1509217 0.67 HTR2A (0.47) ADH1BADH1CADH1AADH7HTR2A
SCHEMBL4796790 0.66 ADH1B (0.46) ADH1BADH1CADH1AADH7KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1352243-A4 PERFLUORO SULFONYL HALIDES AND RELATED SPECIES AS POLYMER SUPPORT MODIFIERS GE HEALTHCARE LTD (GB) 2008-07-02 EP disclosed
EP-1352243-A2 PERFLUORO SULFONYL HALIDES AND RELATED SPECIES AS POLYMER SUPPORT MODIFIERS Amersham plc (GB) 2003-10-15 EP disclosed
WO-2002055026-A2 PERFLUORO SULFONYL HALIDES AND RELATED SPECIES AS POLYMER SUPPORT MODIFIERS AFFYMAX INC (US) 2002-07-18 WO disclosed