SCHEMBL4555928

SCHEMBL4555928

O=Cc1ccccc1OCOCC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.57
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
FAAH O00519 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL635622 0.97 ALDH1A1 (0.54) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3851835 0.88 SRC (0.63) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL29750488 0.80 ALDH1A1 (0.63) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL636591 0.80 ALDH1A1 (0.63) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4556262 0.79 ALDH1A1 (0.54) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2817952 0.78 ALDH1A1 (0.56) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1276592 0.76 ALDH1A1 (0.79) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL30972130 0.76 ALDH1A1 (0.79) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL12283515 0.74 SRC (0.51) SRCALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1300080 0.74 HPGD (0.62) SRCHPGDMCHR1

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
EP-2035369-A1 THERAPEUTIC COMPOUNDS Fibrotech Therapeutics PTY LTD (AU) 2009-03-18 EP disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 WO disclosed