SCHEMBL4624902

SCHEMBL4624902

[CH2]NC(=O)c1cccc2c1-c1ccccc1C2CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 3/20 0.37
KEAP1 Q14145 1/20 0.36
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK10 P53779 2/20 0.35
PTK2B Q14289 2/20 0.35
NCOA1 Q15788 2/20 0.35
NCOA3 Q9Y6Q9 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPIA P62937 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
SCHEMBL8092638 0.83 HNF4A (0.50) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL27583741 0.81 KEAP1 (0.49) ALDH1A1KMT2AMEN1MAPTKEAP1
SCHEMBL9956437 0.76 KCNA5 (0.47) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL8399565 0.72 FABP5 (0.39) ALDH1A1HTTKMT2AEPHX2KDM4E
SCHEMBL9449421 0.70 HTR2A (0.42) KMT2AMEN1
SCHEMBL261028 0.70 HTR2A (0.58) KMT2AMAPTPOLBCYP1A2TSHR
SCHEMBL29639019 0.70 HTR2A (0.58) KMT2AMAPTPOLBCYP1A2TSHR
SCHEMBL10085227 0.68 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL22166256 0.68 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL4624906 0.68 ADH1B (0.37) HTTKDM4ECYP1A2CYP3A4CYP2C9

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