SCHEMBL18045690

SCHEMBL18045690

COc1cc(OCCOCCOc2ccc(C=O)c(OC)c2)ccc1C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
MAOB P27338 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 4/20 0.47
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 3/20 0.47
TUBB1 Q9H4B7 1/20 0.47
ERN1 O75460 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FDPS P14324 1/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
TRIM24 O15164 1/20 0.44

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
SCHEMBL5143351 0.90 ALDH1A1 (0.67) ALDH1A1MAOBL3MBTL1CYP1A2CYP1A1
SCHEMBL18068448 0.89 ALDH1A1 (0.54) ALDH1A1MAOBL3MBTL1CYP1A2CYP1A1
SCHEMBL5143349 0.88 ALDH1A1 (0.63) ALDH1A1MAOBL3MBTL1CYP1A2CYP1A1
SCHEMBL20892596 0.87 ALDH1A1 (0.67) ALDH1A1MAOBL3MBTL1CYP1A2CYP1A1
SCHEMBL4059477 0.87 ALDH1A1 (0.67) ALDH1A1MAOBL3MBTL1CYP1A2CYP1A1
SCHEMBL10310982 0.87 ALDH1A1 (0.51) ALDH1A1MAOBL3MBTL1CYP1A2CYP1A1
SCHEMBL2352641 0.86 ALDH1A1 (0.65) ALDH1A1MAOBL3MBTL1CYP1A2CYP1A1
SCHEMBL12344082 0.86 ALDH1A1 (0.65) ALDH1A1MAOBL3MBTL1CYP1A2CYP1A1
SCHEMBL2651293 0.86 ALDH1A1 (0.65) ALDH1A1MAOBL3MBTL1CYP1A2CYP1A1
SCHEMBL3334328 0.85 ALDH1A1 (0.59) ALDH1A1MAOBL3MBTL1CYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550845-B2 Multiple stage curable polymer with controlled transitions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-01-24 US disclosed
US-9550845-B2 Multiple stage curable polymer with controlled transitions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-01-24 US disclosed
US-20160264695-A1 MULTIPLE STAGE CURABLE POLYMER WITH CONTROLLED TRANSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-15 US disclosed
US-20160264695-A1 MULTIPLE STAGE CURABLE POLYMER WITH CONTROLLED TRANSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-15 US disclosed