SCHEMBL8818397

SCHEMBL8818397

OCCOc1cc(Cc2cc(OCCO)cc3ccccc23)c2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.48
ALDH1A1 P00352 2/20 0.48
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
NR1I2 O75469 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
F2 P00734 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDK2 Q15119 2/20 0.36
KCNA3 P22001 1/20 0.36
HTR1D P28221 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
SCHEMBL9936306 0.82 CYP2D6 (0.38) ALDH1A1KDM4EMAPK1TDP1SLC6A2
SCHEMBL8818390 0.81 ALDH1A1 (0.50) RECQLALDH1A1IDO1KDM4EMAPK1
SCHEMBL25016929 0.76 RHEB (0.49) CA12CA1CA9NPC1RAB9A
SCHEMBL2806149 0.76 MEN1 (0.37) ALDH1A1KDM4EMAPK1TDP1MEN1
SCHEMBL432069 0.74 KDM4E (0.68) RECQLALDH1A1KDM4EMAPK1TDP1
SCHEMBL29385642 0.74 KDM4E (0.68) RECQLALDH1A1KDM4EMAPK1TDP1
SCHEMBL9043875 0.73 KDM4E (0.60) RECQLALDH1A1KDM4EMAPK1TDP1
SCHEMBL5115767 0.73 ALDH1A1 (0.47) RECQLALDH1A1IDO1KDM4EGAA
SCHEMBL21822345 0.72 ALOX5 (0.57) SLC6A2SLC6A3F2MEN1KMT2A
SCHEMBL29151462 0.72 GRM5 (0.37) RECQLALDH1A1KDM4ETDP1F2

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
WO-1997015566-A1 NOVEL OLIGOMERS, PROCESS FOR THEIR PREPARATION AND METHODS FOR THEIR USE GEORGHIOU PARIS E (CA) 1997-05-01 WO disclosed