SCHEMBL4537252

SCHEMBL4537252

OCC(O)COC1C[CH]CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
APOBEC3A P31941 2/20 0.32
APOBEC3G Q9HC16 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
RGS12 O14924 1/20 0.31

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
SCHEMBL4262966 0.85 KDM4E (0.37) KDM4EPRMT5WDR77USP2ALDH1A1
SCHEMBL22631553 0.82 HTT (0.40) KDM4EPRMT5WDR77USP2ALDH1A1
SCHEMBL8534128 0.82 KDM4E (0.43) KDM4EPRMT5WDR77USP2ALDH1A1
SCHEMBL3815044 0.80 KDM4E (0.45) KDM4EPRMT5WDR77USP2ALDH1A1
SCHEMBL9132499 0.80 KDM4E (0.45) KDM4EPRMT5WDR77USP2ALDH1A1
Water SCHEMBL29022494 0.79 KDM4E (0.44) KDM4EPRMT5WDR77USP2ALDH1A1
SCHEMBL27303664 0.78
SCHEMBL6230438 0.78 MEN1 (0.42) KDM4EPRMT5WDR77USP2ALDH1A1
SCHEMBL7979196 0.77 KDM4E (0.32) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL20794136 0.74 USP2 (0.50) KDM4EPRMT5WDR77USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4377942-B2 2009-12-02 JP claimed
JP-2008531599-A 2008-08-14 JP claimed
CN-101180275-A Tetrahydroindolone and tetrahydroindazolone derivatives SERENEX INC (US) 2008-05-14 CN claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP claimed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO claimed