SCHEMBL6720168

SCHEMBL6720168

CC(COc1ccc(-c2ccc(OCC(C)OC3CO3)cc2)cc1)OC1CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
AAK1 Q2M2I8 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRNA7 P36544 1/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL6720171 0.87 LTA4H (0.37) HPGDALDH1A1MAPTTSHRLMNA
SCHEMBL4818360 0.84 KMT2A (0.55) HPGDALDH1A1MAPTKDM4ETSHR
SCHEMBL6720167 0.82 SMN1; SMN2 (0.49) ALDH1A1KDM4ECYP3A4TSHRLMNA
SCHEMBL23419306 0.75 MAPK1 (0.42) ALDH1A1MAPTKDM4EPOLBLMNA
SCHEMBL9970932 0.75 ALDH1A1 (0.51) HPGDALDH1A1AAK1MAPTKDM4E
SCHEMBL13554407 0.72 AAK1 (0.45) HPGDALDH1A1AAK1MAPTKDM4E
SCHEMBL14570067 0.72 KMT2A (0.41) HPGDALDH1A1KDM4ETSHRLMNA
SCHEMBL6720166 0.72
SCHEMBL22837910 0.70 ALDH1A1 (0.53) HPGDALDH1A1MAPTKDM4ECYP3A4
SCHEMBL20851318 0.69 MAPT (0.58) HPGDALDH1A1AAK1MAPTKDM4E

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
US-9303114-B2 One liquid type cyanate ester-epoxy composite resin composition ADEKA CORPORATION (JP) 2016-04-05 US disclosed
US-20120123082-A1 ONE LIQUID TYPE CYANATE ESTER-EPOXY COMPOSITE RESIN COMPOSITION ADEKA CORPORATION (JP) 2012-05-17 US disclosed